1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one

C20H24N4O3S — CID 163219972

IUPAC1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one
SMILESCc1cc(S(C)(=O)=O)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1
InChIInChI=1S/C20H24N4O3S/c1-13-10-15(28(3,26)27)8-9-16(13)22-19-11-17-18(12-21-19)23(2)20(25)24(17)14-6-4-5-7-14/h8-12,14H,4-7H2,1-3H3,(H,21,22)
InChIKeyUZBPFMOOYTVMLS-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.31
Rot. Bonds4

About 1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one

1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one (PubChem CID 163219972) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one
PubChem CID163219972
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one
SMILESCc1cc(S(C)(=O)=O)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1
InChIInChI=1S/C20H24N4O3S/c1-13-10-15(28(3,26)27)8-9-16(13)22-19-11-17-18(12-21-19)23(2)20(25)24(17)14-6-4-5-7-14/h8-12,14H,4-7H2,1-3H3,(H,21,22)
InChIKeyUZBPFMOOYTVMLS-UHFFFAOYSA-N
XLogP3.31
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one (CID 163219972) is 1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one is Cc1cc(S(C)(=O)=O)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one?
The InChIKey is UZBPFMOOYTVMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-13-10-15(28(3,26)27)8-9-16(13)22-19-11-17-18(12-21-19)23(2)20(25)24(17)14-6-4-5-7-14/h8-12,14H,4-7H2,1-3H3,(H,21,22).
What are the key properties of 1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one?
1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one has a molecular weight of 400.50 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 163219972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).