Basic information
- CAS
92406-14-9- Standard SMILES
COC(=O)C1=C(C)Nc2c(c(C3CCCC3)nn2C)C1c1cccc([N+](=O)[O-])c1- InChIKey
ALHKQDDIIXDSMQ-UHFFFAOYSA-N- Molecular formula
- C21H24N4O4
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.17975526
Overview
structure given in first source
Names & identifiers
- Preferred name
- Methyl 3-cyclopentyl-4,7-dihydro-1,6-dimethyl-4-(3-nitrophenyl)pyrazolo(3,4-b)pyridine-5-carboxylate
- IUPAC
- methyl 3-cyclopentyl-1,6-dimethyl-4-(3-nitrophenyl)-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
- English name
- methyl 3-cyclopentyl-4,7-dihydro-1,6-dimethyl-4-(3-nitrophenyl)pyrazolo(3,4-b)pyridine-5-carboxylate
- Molecular weight
- 0
Names & synonyms
MCPPC92406-14-9Methyl 3-cyclopentyl-4,7-dihydro-1,6-dimethyl-4-(3-nitrophenyl)pyrazolo(3,4-b)pyridine-5-carboxylateRefChem:1574748363-SSCHEMBL7430761SCHEMBL31194769DTXSID009191881H-Pyrazolo(3,4-b)pyridine-5-carboxylic acid, 3-cyclopentyl-4,7-dihydro-1,6-dimethyl-4-(3-nitrophenyl)-, methyl esterMethyl 3-cyclopentyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate8363S3-Cyclopentyl-4,7-dihydro-1,6-dimethyl-4-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester
Database identifiers
- CAS
92406-14-9- PubChem CID
- 3035537
- DTXSID
DTXSID00919188- Nikkaji
- J227.981I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 685
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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