2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one

C20H16ClN3O2 — CID 18329933

IUPAC2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESCc1ncc2c(=O)n(-c3ccc(Cl)cc3)[nH]c2c1-c1ccc(CO)cc1
InChIInChI=1S/C20H16ClN3O2/c1-12-18(14-4-2-13(11-25)3-5-14)19-17(10-22-12)20(26)24(23-19)16-8-6-15(21)7-9-16/h2-10,23,25H,11H2,1H3
InChIKeyMMPYJGCOSGJPKA-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.83
Rot. Bonds3

About 2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one

2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 18329933) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID18329933
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESCc1ncc2c(=O)n(-c3ccc(Cl)cc3)[nH]c2c1-c1ccc(CO)cc1
InChIInChI=1S/C20H16ClN3O2/c1-12-18(14-4-2-13(11-25)3-5-14)19-17(10-22-12)20(26)24(23-19)16-8-6-15(21)7-9-16/h2-10,23,25H,11H2,1H3
InChIKeyMMPYJGCOSGJPKA-UHFFFAOYSA-N
XLogP3.83
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one (CID 18329933) is 2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one is Cc1ncc2c(=O)n(-c3ccc(Cl)cc3)[nH]c2c1-c1ccc(CO)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is MMPYJGCOSGJPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-12-18(14-4-2-13(11-25)3-5-14)19-17(10-22-12)20(26)24(23-19)16-8-6-15(21)7-9-16/h2-10,23,25H,11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one?
2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 365.82 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 18329933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).