5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one

C17H14ClN5O — CID 118426614

IUPAC5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one
SMILESCn1cc(-c2cn(-c3ccc(Cl)cc3)c(=O)c3ncn(C)c23)cn1
InChIInChI=1S/C17H14ClN5O/c1-21-10-19-15-16(21)14(11-7-20-22(2)8-11)9-23(17(15)24)13-5-3-12(18)4-6-13/h3-10H,1-2H3
InChIKeyZKLLSESJIABULM-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.78
Rot. Bonds2

About 5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one

5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one (PubChem CID 118426614) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one
PubChem CID118426614
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one
SMILESCn1cc(-c2cn(-c3ccc(Cl)cc3)c(=O)c3ncn(C)c23)cn1
InChIInChI=1S/C17H14ClN5O/c1-21-10-19-15-16(21)14(11-7-20-22(2)8-11)9-23(17(15)24)13-5-3-12(18)4-6-13/h3-10H,1-2H3
InChIKeyZKLLSESJIABULM-UHFFFAOYSA-N
XLogP2.78
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one (CID 118426614) is 5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one is Cn1cc(-c2cn(-c3ccc(Cl)cc3)c(=O)c3ncn(C)c23)cn1.
What is the InChIKey of 5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one?
The InChIKey is ZKLLSESJIABULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-21-10-19-15-16(21)14(11-7-20-22(2)8-11)9-23(17(15)24)13-5-3-12(18)4-6-13/h3-10H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one?
5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 339.79 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 118426614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).