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

C21H23N3O3 — CID 66495579

IUPACmethyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C2CCCCC2C)cc2c(=O)n(-c3ccccc3)nc1-2
InChIInChI=1S/C21H23N3O3/c1-14-8-6-7-11-18(14)23-12-16-19(17(13-23)21(26)27-2)22-24(20(16)25)15-9-4-3-5-10-15/h3-5,9-10,12-14,18H,6-8,11H2,1-2H3
InChIKeyNXZODIKZKWQGOQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.68
Rot. Bonds3

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

methyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 66495579) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID66495579
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namemethyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C2CCCCC2C)cc2c(=O)n(-c3ccccc3)nc1-2
InChIInChI=1S/C21H23N3O3/c1-14-8-6-7-11-18(14)23-12-16-19(17(13-23)21(26)27-2)22-24(20(16)25)15-9-4-3-5-10-15/h3-5,9-10,12-14,18H,6-8,11H2,1-2H3
InChIKeyNXZODIKZKWQGOQ-UHFFFAOYSA-N
XLogP3.68
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495608
methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495613
methyl 5-[3-(dimethylamino)propyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495612
methyl 5-(1,3-benzothiazol-2-yl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 82017586
methyl 5-benzyl-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495834
methyl 5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495958
methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496218
ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 102239631
methyl 5-(2-fluorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495772
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
5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one
CID 18570545

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate (CID 66495579) is methyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(C2CCCCC2C)cc2c(=O)n(-c3ccccc3)nc1-2.
What is the InChIKey of methyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is NXZODIKZKWQGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-8-6-7-11-18(14)23-12-16-19(17(13-23)21(26)27-2)22-24(20(16)25)15-9-4-3-5-10-15/h3-5,9-10,12-14,18H,6-8,11H2,1-2H3.
What are the key properties of methyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 66495579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).