N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide

C29H25ClN4O2 — CID 20939921

IUPACN-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCc1cccc(-c2nn(-c3ccccc3)c3c2c(C)cc(=O)n3CC(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C29H25ClN4O2/c1-18-8-7-9-21(14-18)28-27-20(3)15-26(36)33(29(27)34(32-28)23-10-5-4-6-11-23)17-25(35)31-24-16-22(30)13-12-19(24)2/h4-16H,17H2,1-3H3,(H,31,35)
InChIKeyOPWHGUINFFQDOD-UHFFFAOYSA-N
MW497.00 g/mol
LogP6.07
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide (PubChem CID 20939921) has the molecular formula C29H25ClN4O2 and a molecular weight of 497.00 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide
PubChem CID20939921
Molecular FormulaC29H25ClN4O2
Molecular Weight497.00 g/mol
Exact Mass496.17
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCc1cccc(-c2nn(-c3ccccc3)c3c2c(C)cc(=O)n3CC(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C29H25ClN4O2/c1-18-8-7-9-21(14-18)28-27-20(3)15-26(36)33(29(27)34(32-28)23-10-5-4-6-11-23)17-25(35)31-24-16-22(30)13-12-19(24)2/h4-16H,17H2,1-3H3,(H,31,35)
InChIKeyOPWHGUINFFQDOD-UHFFFAOYSA-N
XLogP6.07
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.00
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575738
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CID 39767924
N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50790085
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide
CID 46306734
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide
CID 9147333
N-(5-chloro-2-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731945
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20944208
N-(5-chloro-2-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472297
2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide
CID 22575760
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-(5-chloro-2-methylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide (CID 20939921) is N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide is Cc1cccc(-c2nn(-c3ccccc3)c3c2c(C)cc(=O)n3CC(=O)Nc2cc(Cl)ccc2C)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide?
The InChIKey is OPWHGUINFFQDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN4O2/c1-18-8-7-9-21(14-18)28-27-20(3)15-26(36)33(29(27)34(32-28)23-10-5-4-6-11-23)17-25(35)31-24-16-22(30)13-12-19(24)2/h4-16H,17H2,1-3H3,(H,31,35).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide has a molecular weight of 497.00 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 20939921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).