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

C21H17N3O2 — CID 4798152

IUPAC(2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCc1cccc(-n2nc(C)c3cc(C(=O)c4ccccc4O)cnc32)c1
InChIInChI=1S/C21H17N3O2/c1-13-6-5-7-16(10-13)24-21-18(14(2)23-24)11-15(12-22-21)20(26)17-8-3-4-9-19(17)25/h3-12,25H,1-2H3
InChIKeyIFPGPSSEWNEIJM-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.97
Rot. Bonds3

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

(2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone (PubChem CID 4798152) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
PubChem CID4798152
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name(2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCc1cccc(-n2nc(C)c3cc(C(=O)c4ccccc4O)cnc32)c1
InChIInChI=1S/C21H17N3O2/c1-13-6-5-7-16(10-13)24-21-18(14(2)23-24)11-15(12-22-21)20(26)17-8-3-4-9-19(17)25/h3-12,25H,1-2H3
InChIKeyIFPGPSSEWNEIJM-UHFFFAOYSA-N
XLogP3.97
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxy-5-methylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 901814
(2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 139223049
(2-hydroxy-5-methylphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 139223051
(2-hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 7998007
4-hydroxy-1-(3-methylphenyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-6-oxopyridazine-3-carboxamide
CID 108809208
(5-chloro-2-hydroxyphenyl)-[3-methyl-1-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 1211946
N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine
CID 63771201
4-chloro-3-methyl-1-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 11381079
2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 146095796
(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 139016323
3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 146154538
(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 11023968

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone (CID 4798152) is (2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone is Cc1cccc(-n2nc(C)c3cc(C(=O)c4ccccc4O)cnc32)c1.
What is the InChIKey of (2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The InChIKey is IFPGPSSEWNEIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-6-5-7-16(10-13)24-21-18(14(2)23-24)11-15(12-22-21)20(26)17-8-3-4-9-19(17)25/h3-12,25H,1-2H3.
What are the key properties of (2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
(2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone has a molecular weight of 343.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone is sourced from PubChem (CID 4798152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).