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Home > Pyridines > 923109-53-9
923109-53-9 | 1'-cyclopentyl-6'-oxo-1',5',6',7'-tetrahydrospiro[cyclopentane-1,4'-pyrazolo[3,4-b]pyridine]-5'-carbonitrile
CAS No: 923109-53-9 Catalog No: AG019K4L MDL No:MFCD08444393
Product Description
Catalog Number:
AG019K4L
Chemical Name:
1'-cyclopentyl-6'-oxo-1',5',6',7'-tetrahydrospiro[cyclopentane-1,4'-pyrazolo[3,4-b]pyridine]-5'-carbonitrile
CAS Number:
923109-53-9
Molecular Formula:
C16H20N4O
Molecular Weight:
284.3562
MDL Number:
MFCD08444393
IUPAC Name:
1-cyclopentyl-6-oxospiro[5,7-dihydropyrazolo[3,4-b]pyridine-4,1'-cyclopentane]-5-carbonitrile
InChI:
InChI=1S/C16H20N4O/c17-9-12-15(21)19-14-13(16(12)7-3-4-8-16)10-18-20(14)11-5-1-2-6-11/h10-12H,1-8H2,(H,19,21)
InChI Key:
BDAUUXUZDXNZNQ-UHFFFAOYSA-N
SMILES:
N#CC1C(=O)Nc2c(C31CCCC3)cnn2C1CCCC1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.164g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.363g/mol
Monoisotopic Mass:
284.164g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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