5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

C27H22N4O3 — CID 18570534

IUPAC5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1cccc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)c1
InChIInChI=1S/C27H22N4O3/c1-34-22-14-8-11-20(15-22)28-26(32)23-17-30(16-19-9-4-2-5-10-19)18-24-25(23)29-31(27(24)33)21-12-6-3-7-13-21/h2-15,17-18H,16H2,1H3,(H,28,32)
InChIKeyABXJCYZNNWNZNH-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.45
Rot. Bonds6

About 5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 18570534) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID18570534
Molecular FormulaC27H22N4O3
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC Name5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1cccc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)c1
InChIInChI=1S/C27H22N4O3/c1-34-22-14-8-11-20(15-22)28-26(32)23-17-30(16-19-9-4-2-5-10-19)18-24-25(23)29-31(27(24)33)21-12-6-3-7-13-21/h2-15,17-18H,16H2,1H3,(H,28,32)
InChIKeyABXJCYZNNWNZNH-UHFFFAOYSA-N
XLogP4.45
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-benzyl-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495834
5-benzyl-N-[(2-methoxyphenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570512
5-benzyl-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570540
N-(4-methoxyphenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 16801788
N-(3-acetylphenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 44827298
5-ethyl-N-(2-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570321
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
2-benzyl-N-(3-methoxyphenyl)benzamide
CID 26914636
N-(3-ethylphenyl)-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549816
N-[3-(3-cyanopropoxy)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55879339
methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495889

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (CID 18570534) is 5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is COc1cccc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)c1.
What is the InChIKey of 5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is ABXJCYZNNWNZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3/c1-34-22-14-8-11-20(15-22)28-26(32)23-17-30(16-19-9-4-2-5-10-19)18-24-25(23)29-31(27(24)33)21-12-6-3-7-13-21/h2-15,17-18H,16H2,1H3,(H,28,32).
What are the key properties of 5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 18570534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).