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Home > Pyridines > 923152-34-5
923152-34-5 | 1'-cyclopentyl-6'-oxo-1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-pyrazolo[3,4-b]pyridine]-5'-carbonitrile
CAS No: 923152-34-5 Catalog No: AG019K9C MDL No:MFCD08691187
Product Description
Catalog Number:
AG019K9C
Chemical Name:
1'-cyclopentyl-6'-oxo-1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-pyrazolo[3,4-b]pyridine]-5'-carbonitrile
CAS Number:
923152-34-5
Molecular Formula:
C17H22N4O
Molecular Weight:
298.3828
MDL Number:
MFCD08691187
IUPAC Name:
1-cyclopentyl-6-oxospiro[5,7-dihydropyrazolo[3,4-b]pyridine-4,1'-cyclohexane]-5-carbonitrile
InChI:
InChI=1S/C17H22N4O/c18-10-13-16(22)20-15-14(17(13)8-4-1-5-9-17)11-19-21(15)12-6-2-3-7-12/h11-13H,1-9H2,(H,20,22)
InChI Key:
VYBBWMVJUZKKAJ-UHFFFAOYSA-N
SMILES:
N#CC1C(=O)Nc2c(C31CCCCC3)cnn2C1CCCC1
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.39g/mol
Monoisotopic Mass:
298.179g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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