N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide

C29H25ClN4O2 — CID 22575738

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCCc2ccc(Cl)cc2)c2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C29H25ClN4O2/c1-20-18-26(36)33(19-25(35)31-17-16-21-12-14-23(30)15-13-21)29-27(20)28(22-8-4-2-5-9-22)32-34(29)24-10-6-3-7-11-24/h2-15,18H,16-17,19H2,1H3,(H,31,35)
InChIKeyBQMOYMMDYLVTSM-UHFFFAOYSA-N
MW497.00 g/mol
LogP5.17
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide (PubChem CID 22575738) has the molecular formula C29H25ClN4O2 and a molecular weight of 497.00 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
PubChem CID22575738
Molecular FormulaC29H25ClN4O2
Molecular Weight497.00 g/mol
Exact Mass496.17
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCCc2ccc(Cl)cc2)c2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C29H25ClN4O2/c1-20-18-26(36)33(19-25(35)31-17-16-21-12-14-23(30)15-13-21)29-27(20)28(22-8-4-2-5-9-22)32-34(29)24-10-6-3-7-11-24/h2-15,18H,16-17,19H2,1H3,(H,31,35)
InChIKeyBQMOYMMDYLVTSM-UHFFFAOYSA-N
XLogP5.17
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.00
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20939921
4-methyl-7-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diphenylpyrazolo[5,4-b]pyridin-6-one
CID 22575737
N-[2-(4-chlorophenyl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953605
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 20877332
2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide
CID 70784155
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-(2-phenylethyl)acetamide
CID 20944248
N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575759
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 20944267
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575764
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20944146

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide (CID 22575738) is N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide is Cc1cc(=O)n(CC(=O)NCCc2ccc(Cl)cc2)c2c1c(-c1ccccc1)nn2-c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
The InChIKey is BQMOYMMDYLVTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN4O2/c1-20-18-26(36)33(19-25(35)31-17-16-21-12-14-23(30)15-13-21)29-27(20)28(22-8-4-2-5-9-22)32-34(29)24-10-6-3-7-11-24/h2-15,18H,16-17,19H2,1H3,(H,31,35).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide has a molecular weight of 497.00 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide is sourced from PubChem (CID 22575738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).