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Home > Pyridines > 1029475-77-1
1029475-77-1 | 3'-methyl-2',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-pyrazolo[3,4-b]pyridine]-6'-one
CAS No: 1029475-77-1 Catalog No: AG00IUXE MDL No:MFCD22573534
Product Description
Catalog Number:
AG00IUXE
Chemical Name:
3'-methyl-2',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-pyrazolo[3,4-b]pyridine]-6'-one
CAS Number:
1029475-77-1
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
MDL Number:
MFCD22573534
IUPAC Name:
3-methylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,1'-cyclohexane]-6-one
InChI:
InChI=1S/C12H17N3O/c1-8-10-11(15-14-8)13-9(16)7-12(10)5-3-2-4-6-12/h2-7H2,1H3,(H2,13,14,15,16)
InChI Key:
LECZXRXHELRVBO-UHFFFAOYSA-N
SMILES:
O=C1Nc2n[nH]c(c2C2(C1)CCCCC2)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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