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CPI-637 25mg

CAT: 0628-A16470-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A16470-25Size:25 mg
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CAS Number
1884712-47-3

Chemical Information

(R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
CAS Number1884712-47-3
PubChem CID121271792
IUPAC Name(4R)-4-methyl-6-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
Molecular FormulaC22H22N6O
Molecular Weight386.4
XLogP2.5
Topological Polar Surface Area76.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity616
SMILES
C[C@@H]1CC(=O)NC2=CC=CC(=C2N1)C3=CC4=C(C=C3)N(N=C4C5=CN(N=C5)C)C
InChI
InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1
InChIKey
BFTKDWYIRJGJCA-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of (R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
CAS: 1884712-47-3
CID: 121271792
Formula: C22H22N6O
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass386.18550935
Monoisotopic Mass386.18550935
Topological Polar Surface Area76.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity616
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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