4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C17H17N5O2 — CID 135584171

IUPAC4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1cccc(C2C(C#N)=C(C(C)C)Nc3[nH]ncc32)c1[N+](=O)[O-]
InChIInChI=1S/C17H17N5O2/c1-9(2)15-12(7-18)14(13-8-19-21-17(13)20-15)11-6-4-5-10(3)16(11)22(23)24/h4-6,8-9,14H,1-3H3,(H2,19,20,21)
InChIKeyOXTXBXUPZBNRFA-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.62
Rot. Bonds3

About 4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135584171) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135584171
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1cccc(C2C(C#N)=C(C(C)C)Nc3[nH]ncc32)c1[N+](=O)[O-]
InChIInChI=1S/C17H17N5O2/c1-9(2)15-12(7-18)14(13-8-19-21-17(13)20-15)11-6-4-5-10(3)16(11)22(23)24/h4-6,8-9,14H,1-3H3,(H2,19,20,21)
InChIKeyOXTXBXUPZBNRFA-UHFFFAOYSA-N
XLogP3.62
TPSA107.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584009
6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584167
4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583777
4-(2-hydroxy-3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 5222990
dimethyl 2,6-dimethyl-4-(3-methyl-2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 118657460
4-(2-bromophenyl)-6-ethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583990
4-(2-bromo-3-cyanophenyl)-6-cyclobutyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584034
4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride
CID 135583983
4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583736
tert-butyl N-[[4-(2-bromo-3-cyanophenyl)-5-cyano-4,7-dihydro-1H-pyrazolo[5,4-b]pyridin-6-yl]methyl]-N-methylcarbamate
CID 135584108
4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583853
4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583996

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135584171) is 4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is Cc1cccc(C2C(C#N)=C(C(C)C)Nc3[nH]ncc32)c1[N+](=O)[O-].
What is the InChIKey of 4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is OXTXBXUPZBNRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-9(2)15-12(7-18)14(13-8-19-21-17(13)20-15)11-6-4-5-10(3)16(11)22(23)24/h4-6,8-9,14H,1-3H3,(H2,19,20,21).
What are the key properties of 4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 323.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135584171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).