(2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone

C20H14N4O4 — CID 139223049

IUPAC(2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCc1nn(-c2cccc([N+](=O)[O-])c2)c2ncc(C(=O)c3ccccc3O)cc12
InChIInChI=1S/C20H14N4O4/c1-12-17-9-13(19(26)16-7-2-3-8-18(16)25)11-21-20(17)23(22-12)14-5-4-6-15(10-14)24(27)28/h2-11,25H,1H3
InChIKeyOAMOBULALSJOKJ-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.57
Rot. Bonds4

About (2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone

(2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone (PubChem CID 139223049) has the molecular formula C20H14N4O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
PubChem CID139223049
Molecular FormulaC20H14N4O4
Molecular Weight374.36 g/mol
Exact Mass374.10
IUPAC Name(2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCc1nn(-c2cccc([N+](=O)[O-])c2)c2ncc(C(=O)c3ccccc3O)cc12
InChIInChI=1S/C20H14N4O4/c1-12-17-9-13(19(26)16-7-2-3-8-18(16)25)11-21-20(17)23(22-12)14-5-4-6-15(10-14)24(27)28/h2-11,25H,1H3
InChIKeyOAMOBULALSJOKJ-UHFFFAOYSA-N
XLogP3.57
TPSA111.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(2-hydroxy-5-methylphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 139223051
(5-chloro-2-hydroxyphenyl)-[3-methyl-1-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 1211946
(2-hydroxy-5-methylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 901814
4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline
CID 124925417
6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole
CID 11086031
4-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]-3-phenylsulfanyl-4a,8a-dihydrochromen-2-one
CID 139223060
1-[3-methyl-1-(3-nitrophenyl)pyrazol-4-yl]ethanone
CID 135042738
3-methyl-1-(3-nitrophenyl)pyrazole-4-carboxylic acid
CID 43324378
5-chloro-4-ethyl-3-methyl-1-(3-nitrophenyl)pyrazole
CID 66020540
3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9033714
2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 146095796
5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 29259929

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone (CID 139223049) is (2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone is Cc1nn(-c2cccc([N+](=O)[O-])c2)c2ncc(C(=O)c3ccccc3O)cc12.
What is the InChIKey of (2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The InChIKey is OAMOBULALSJOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O4/c1-12-17-9-13(19(26)16-7-2-3-8-18(16)25)11-21-20(17)23(22-12)14-5-4-6-15(10-14)24(27)28/h2-11,25H,1H3.
What are the key properties of (2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
(2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone has a molecular weight of 374.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone is sourced from PubChem (CID 139223049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).