N-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide

C27H21ClN4O2 — CID 142699499

IUPACN-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nn2c(-c3cccc(C)c3)cc3c(-c4cccc(Cl)c4)n[nH]c3c2=O)c1
InChIInChI=1S/C27H21ClN4O2/c1-16-6-3-8-18(12-16)23-15-22-24(19-9-5-11-21(28)14-19)29-30-25(22)27(34)32(23)31-26(33)20-10-4-7-17(2)13-20/h3-15H,1-2H3,(H,29,30)(H,31,33)
InChIKeyZTRXLHODJPOYCS-UHFFFAOYSA-N
MW468.94 g/mol
LogP5.71
Rot. Bonds4

About N-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide

N-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide (PubChem CID 142699499) has the molecular formula C27H21ClN4O2 and a molecular weight of 468.94 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide
PubChem CID142699499
Molecular FormulaC27H21ClN4O2
Molecular Weight468.94 g/mol
Exact Mass468.14
IUPAC NameN-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nn2c(-c3cccc(C)c3)cc3c(-c4cccc(Cl)c4)n[nH]c3c2=O)c1
InChIInChI=1S/C27H21ClN4O2/c1-16-6-3-8-18(12-16)23-15-22-24(19-9-5-11-21(28)14-19)29-30-25(22)27(34)32(23)31-26(33)20-10-4-7-17(2)13-20/h3-15H,1-2H3,(H,29,30)(H,31,33)
InChIKeyZTRXLHODJPOYCS-UHFFFAOYSA-N
XLogP5.71
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.94
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide
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N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide
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3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23881942
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide
CID 170732450
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
3-chlorobenzoyl chloride;N,3-dimethylbenzamide
CID 159987472
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]furan-2-carboxamide
CID 170732422
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridazine-3-carboxamide
CID 170732461

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide?
The IUPAC name of N-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide (CID 142699499) is N-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nn2c(-c3cccc(C)c3)cc3c(-c4cccc(Cl)c4)n[nH]c3c2=O)c1.
What is the InChIKey of N-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide?
The InChIKey is ZTRXLHODJPOYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O2/c1-16-6-3-8-18(12-16)23-15-22-24(19-9-5-11-21(28)14-19)29-30-25(22)27(34)32(23)31-26(33)20-10-4-7-17(2)13-20/h3-15H,1-2H3,(H,29,30)(H,31,33).
What are the key properties of N-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide?
N-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide has a molecular weight of 468.94 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide is sourced from PubChem (CID 142699499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).