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

C21H16ClN3O4 — CID 66496218

IUPACmethyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2cccc(Cl)c2)cc2c(=O)n(-c3ccc(OC)cc3)nc1-2
InChIInChI=1S/C21H16ClN3O4/c1-28-16-8-6-14(7-9-16)25-20(26)17-11-24(15-5-3-4-13(22)10-15)12-18(19(17)23-25)21(27)29-2/h3-12H,1-2H3
InChIKeyFSKLNWRYQNJKAC-UHFFFAOYSA-N
MW409.83 g/mol
LogP3.58
Rot. Bonds4

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

methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 66496218) has the molecular formula C21H16ClN3O4 and a molecular weight of 409.83 g/mol. Its IUPAC name is methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID66496218
Molecular FormulaC21H16ClN3O4
Molecular Weight409.83 g/mol
Exact Mass409.08
IUPAC Namemethyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2cccc(Cl)c2)cc2c(=O)n(-c3ccc(OC)cc3)nc1-2
InChIInChI=1S/C21H16ClN3O4/c1-28-16-8-6-14(7-9-16)25-20(26)17-11-24(15-5-3-4-13(22)10-15)12-18(19(17)23-25)21(27)29-2/h3-12H,1-2H3
InChIKeyFSKLNWRYQNJKAC-UHFFFAOYSA-N
XLogP3.58
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495853
methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495889
methyl 5-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 82017600
methyl 5-benzyl-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495834
methyl 2-(4-methoxyphenyl)-3-oxo-5-(1H-pyrazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495852
methyl 5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495844
methyl 5-(4-acetamidophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495921
methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496228
methyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496111
methyl 5-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495833
methyl 5-(3-chloro-2-methylphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495824
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-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (CID 66496218) is methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-c2cccc(Cl)c2)cc2c(=O)n(-c3ccc(OC)cc3)nc1-2.
What is the InChIKey of methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is FSKLNWRYQNJKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O4/c1-28-16-8-6-14(7-9-16)25-20(26)17-11-24(15-5-3-4-13(22)10-15)12-18(19(17)23-25)21(27)29-2/h3-12H,1-2H3.
What are the key properties of methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 409.83 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 66496218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).