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(R)- Niraparib Tosylate

CAT: 0572-TRC-N481410-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N481410-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2307785-07-3
Synonyms
(R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide 4-methylbenzenesulfonate
Hazard Statement
No Data Available
Smiles
NC(C1=CC=CC2=CN(C3=CC=C(C=C3)[C@H]4CCCNC4)N=C21)=O.CC5=CC=C(C=C5)S(=O)(O)=O
Molecular Formula
C19 H20 N4 O . C7 H8 O3 S
Molecular Weight
492.58992
InChI
InChI=1S/C19H20N4O.C7H8O3S/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;1-6-2-4-7(5-3-6)11(8,9)10/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);2-5H,1H3,(H,8,9,10)/t14-;/m0./s1
Additionnal Information
IUPAC name: 4-methylbenzenesulfonic acid;2-[4-[(3R)-3-piperidyl]phenyl]indazole-7-carboxamide

Chemical Information

(R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide 4-methylbenzenesulfonate
CAS Number2307785-07-3
PubChem CID132989684
IUPAC Name4-methylbenzenesulfonic acid;2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide
Molecular FormulaC26H28N4O4S
Molecular Weight492.6
Topological Polar Surface Area136
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity655
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.C1C[C@@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N
InChI
InChI=1S/C19H20N4O.C7H8O3S/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;1-6-2-4-7(5-3-6)11(8,9)10/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);2-5H,1H3,(H,8,9,10)/t14-;/m0./s1
InChIKey
LCPFHXWLJMNKNC-UQKRIMTDSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide 4-methylbenzenesulfonate
CAS: 2307785-07-3
CID: 132989684
Formula: C26H28N4O4S
MW: 492.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass492.18312656
Monoisotopic Mass492.18312656
Topological Polar Surface Area136 Ų
Heavy Atom Count35
Formal Charge0
Complexity655
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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