3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C19H16N4O3 — CID 135493499

IUPAC3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C19H16N4O3/c1-12-18-16(13-5-3-2-4-6-13)11-17(24)20-19(18)22(21-12)14-7-9-15(10-8-14)23(25)26/h2-10,16H,11H2,1H3,(H,20,24)
InChIKeyNWZDSBKUAOGQNK-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.56
Rot. Bonds3

About 3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135493499) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135493499
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C19H16N4O3/c1-12-18-16(13-5-3-2-4-6-13)11-17(24)20-19(18)22(21-12)14-7-9-15(10-8-14)23(25)26/h2-10,16H,11H2,1H3,(H,20,24)
InChIKeyNWZDSBKUAOGQNK-UHFFFAOYSA-N
XLogP3.56
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
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'}

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Related Compounds

1-(4-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135406421
4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620930
4-(4-methylsulfanylphenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620963
4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620940
4-(4-ethoxyphenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620961
3-methyl-4-[4-(methylamino)phenyl]-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 175774192
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135889034
(4S)-3-methyl-4-(2-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737482
3-methyl-4-(3-nitrophenyl)-1-phenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 2941506
4-[1-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135652759
4-(2-fluorophenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 137207598
(4R)-4-(4-hydroxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135850580

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135493499) is 3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C(c1ccccc1)CC(=O)N2.
What is the InChIKey of 3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NWZDSBKUAOGQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12-18-16(13-5-3-2-4-6-13)11-17(24)20-19(18)22(21-12)14-7-9-15(10-8-14)23(25)26/h2-10,16H,11H2,1H3,(H,20,24).
What are the key properties of 3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 348.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135493499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).