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

C21H16ClN3O3 — CID 66495853

IUPACmethyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(Cl)cc2)cc2c(=O)n(-c3cccc(C)c3)nc1-2
InChIInChI=1S/C21H16ClN3O3/c1-13-4-3-5-16(10-13)25-20(26)17-11-24(15-8-6-14(22)7-9-15)12-18(19(17)23-25)21(27)28-2/h3-12H,1-2H3
InChIKeySLGPDDTZDPJUGE-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.88
Rot. Bonds3

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

methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 66495853) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID66495853
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Namemethyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(Cl)cc2)cc2c(=O)n(-c3cccc(C)c3)nc1-2
InChIInChI=1S/C21H16ClN3O3/c1-13-4-3-5-16(10-13)25-20(26)17-11-24(15-8-6-14(22)7-9-15)12-18(19(17)23-25)21(27)28-2/h3-12H,1-2H3
InChIKeySLGPDDTZDPJUGE-UHFFFAOYSA-N
XLogP3.88
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (CID 66495853) is methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-c2ccc(Cl)cc2)cc2c(=O)n(-c3cccc(C)c3)nc1-2.
What is the InChIKey of methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is SLGPDDTZDPJUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-13-4-3-5-16(10-13)25-20(26)17-11-24(15-8-6-14(22)7-9-15)12-18(19(17)23-25)21(27)28-2/h3-12H,1-2H3.
What are the key properties of methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 393.83 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 66495853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).