3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

C20H15N5O4 — CID 86261897

IUPAC3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)c12
InChIInChI=1S/C20H15N5O4/c1-12-17-18(26)16(20(27)22-13-6-5-9-15(10-13)25(28)29)11-21-19(17)24(23-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,21,26)(H,22,27)
InChIKeyMBVOLJNFSYUPSU-UHFFFAOYSA-N
MW389.37 g/mol
LogP3.18
Rot. Bonds4

About 3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 86261897) has the molecular formula C20H15N5O4 and a molecular weight of 389.37 g/mol. Its IUPAC name is 3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID86261897
Molecular FormulaC20H15N5O4
Molecular Weight389.37 g/mol
Exact Mass389.11
IUPAC Name3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)c12
InChIInChI=1S/C20H15N5O4/c1-12-17-18(26)16(20(27)22-13-6-5-9-15(10-13)25(28)29)11-21-19(17)24(23-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,21,26)(H,22,27)
InChIKeyMBVOLJNFSYUPSU-UHFFFAOYSA-N
XLogP3.18
TPSA122.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(3,5-dimethylphenyl)-3-methyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 135551980
3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 135853398
N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 135853420
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide
CID 9147333
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 26719346
2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 16960210
3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9033714
4-chloro-3-methyl-N-(4-nitrophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626693
3-(4-ethoxyphenyl)-N-(3-nitrophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137314
N-(2-hydroxy-5-nitrophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477769
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
2,5-dimethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 16953136

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 86261897) is 3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)c12.
What is the InChIKey of 3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is MBVOLJNFSYUPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O4/c1-12-17-18(26)16(20(27)22-13-6-5-9-15(10-13)25(28)29)11-21-19(17)24(23-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,21,26)(H,22,27).
What are the key properties of 3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 389.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 86261897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).