methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate

C21H16ClN3O3 — CID 66495613

IUPACmethyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(Cc2ccccc2Cl)cc2c(=O)n(-c3ccccc3)nc1-2
InChIInChI=1S/C21H16ClN3O3/c1-28-21(27)17-13-24(11-14-7-5-6-10-18(14)22)12-16-19(17)23-25(20(16)26)15-8-3-2-4-9-15/h2-10,12-13H,11H2,1H3
InChIKeyXUIDZRNEMNHXIU-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.63
Rot. Bonds4

About methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 66495613) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID66495613
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Namemethyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(Cc2ccccc2Cl)cc2c(=O)n(-c3ccccc3)nc1-2
InChIInChI=1S/C21H16ClN3O3/c1-28-21(27)17-13-24(11-14-7-5-6-10-18(14)22)12-16-19(17)23-25(20(16)26)15-8-3-2-4-9-15/h2-10,12-13H,11H2,1H3
InChIKeyXUIDZRNEMNHXIU-UHFFFAOYSA-N
XLogP3.63
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.63
H-Bond Donors ≤ 50
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
methyl 5-[3-(dimethylamino)propyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495612
5-benzyl-N-[(2-methoxyphenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570512
methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495974
methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496222
5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570534
methyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495579
methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495608
methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496218
methyl 5-(3-chloro-2-methylphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495824
methyl 2-(2-methylphenyl)-3-oxo-5-(pyridin-2-ylmethyl)pyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496229
methyl 5-(1,3-benzothiazol-2-yl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 82017586

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate (CID 66495613) is methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(Cc2ccccc2Cl)cc2c(=O)n(-c3ccccc3)nc1-2.
What is the InChIKey of methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is XUIDZRNEMNHXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-28-21(27)17-13-24(11-14-7-5-6-10-18(14)22)12-16-19(17)23-25(20(16)26)15-8-3-2-4-9-15/h2-10,12-13H,11H2,1H3.
What are the key properties of methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 393.83 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 66495613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).