methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

C23H21N3O4 — CID 66496222

IUPACmethyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(OC)cc2)cc2c(=O)n(-c3ccccc3C)nc1-2
InChIInChI=1S/C23H21N3O4/c1-15-6-4-5-7-20(15)26-22(27)18-13-25(12-16-8-10-17(29-2)11-9-16)14-19(21(18)24-26)23(28)30-3/h4-11,13-14H,12H2,1-3H3
InChIKeyJQDQSYPUHRAJBO-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.29
Rot. Bonds5

About methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 66496222) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID66496222
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Namemethyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(OC)cc2)cc2c(=O)n(-c3ccccc3C)nc1-2
InChIInChI=1S/C23H21N3O4/c1-15-6-4-5-7-20(15)26-22(27)18-13-25(12-16-8-10-17(29-2)11-9-16)14-19(21(18)24-26)23(28)30-3/h4-11,13-14H,12H2,1-3H3
InChIKeyJQDQSYPUHRAJBO-UHFFFAOYSA-N
XLogP3.29
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[2-(4-methoxyphenyl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496128
methyl 5-benzyl-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495834
methyl 2-(2-methylphenyl)-3-oxo-5-(pyridin-2-ylmethyl)pyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496229
methyl 2-(2-methylphenyl)-5-(3-morpholin-4-ylpropyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496198
methyl 5-(1H-benzimidazol-2-yl)-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496115
methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495613
methyl 5-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495833
methyl 2-(2-methylphenyl)-5-(3-nitrophenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496070
5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570534
methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496218
5-benzyl-N-[(2-methoxyphenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570512
methyl 5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495844

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (CID 66496222) is methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(Cc2ccc(OC)cc2)cc2c(=O)n(-c3ccccc3C)nc1-2.
What is the InChIKey of methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is JQDQSYPUHRAJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-15-6-4-5-7-20(15)26-22(27)18-13-25(12-16-8-10-17(29-2)11-9-16)14-19(21(18)24-26)23(28)30-3/h4-11,13-14H,12H2,1-3H3.
What are the key properties of methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 403.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 66496222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).