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CCT-251921

CAT: 0607-BA3773-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3773-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1607837-31-9
Form
A solid
Molecular Formula
C21H23ClN6O
Molecular Weight
410.90
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

8-(2-amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CAS Number1607837-31-9
PubChem CID74222277
IUPAC Name8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
Molecular FormulaC21H23ClN6O
Molecular Weight410.9
XLogP2.3
Topological Polar Surface Area89.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity626
SMILES
CN1C2=C(C=C(C=C2)C3=CN=C(C(=C3N4CCC5(CCNC5=O)CC4)Cl)N)C=N1
InChI
InChI=1S/C21H23ClN6O/c1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29)
InChIKey
VPJXPDLMACOGIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(2-amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CAS: 1607837-31-9
CID: 74222277
Formula: C21H23ClN6O
MW: 410.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.9
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass410.1621871
Monoisotopic Mass410.1621871
Topological Polar Surface Area89.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity626
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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