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

C28H26N4O3 — CID 163220010

IUPAC1-(4-methoxyphenyl)-3-methyl-6-(2-methyl-4-phenylmethoxyanilino)imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(-n2c(=O)n(C)c3cnc(Nc4ccc(OCc5ccccc5)cc4C)cc32)cc1
InChIInChI=1S/C28H26N4O3/c1-19-15-23(35-18-20-7-5-4-6-8-20)13-14-24(19)30-27-16-25-26(17-29-27)31(2)28(33)32(25)21-9-11-22(34-3)12-10-21/h4-17H,18H2,1-3H3,(H,29,30)
InChIKeyRUSYPSIFHDJYCH-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.36
Rot. Bonds7

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

1-(4-methoxyphenyl)-3-methyl-6-(2-methyl-4-phenylmethoxyanilino)imidazo[4,5-c]pyridin-2-one (PubChem CID 163220010) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methyl-6-(2-methyl-4-phenylmethoxyanilino)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methyl-6-(2-methyl-4-phenylmethoxyanilino)imidazo[4,5-c]pyridin-2-one
PubChem CID163220010
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name1-(4-methoxyphenyl)-3-methyl-6-(2-methyl-4-phenylmethoxyanilino)imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(-n2c(=O)n(C)c3cnc(Nc4ccc(OCc5ccccc5)cc4C)cc32)cc1
InChIInChI=1S/C28H26N4O3/c1-19-15-23(35-18-20-7-5-4-6-8-20)13-14-24(19)30-27-16-25-26(17-29-27)31(2)28(33)32(25)21-9-11-22(34-3)12-10-21/h4-17H,18H2,1-3H3,(H,29,30)
InChIKeyRUSYPSIFHDJYCH-UHFFFAOYSA-N
XLogP5.36
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methyl-6-(2-methyl-4-phenylmethoxyanilino)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-methyl-6-(2-methyl-4-phenylmethoxyanilino)imidazo[4,5-c]pyridin-2-one (CID 163220010) is 1-(4-methoxyphenyl)-3-methyl-6-(2-methyl-4-phenylmethoxyanilino)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methyl-6-(2-methyl-4-phenylmethoxyanilino)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methyl-6-(2-methyl-4-phenylmethoxyanilino)imidazo[4,5-c]pyridin-2-one is COc1ccc(-n2c(=O)n(C)c3cnc(Nc4ccc(OCc5ccccc5)cc4C)cc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methyl-6-(2-methyl-4-phenylmethoxyanilino)imidazo[4,5-c]pyridin-2-one?
The InChIKey is RUSYPSIFHDJYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-19-15-23(35-18-20-7-5-4-6-8-20)13-14-24(19)30-27-16-25-26(17-29-27)31(2)28(33)32(25)21-9-11-22(34-3)12-10-21/h4-17H,18H2,1-3H3,(H,29,30).
What are the key properties of 1-(4-methoxyphenyl)-3-methyl-6-(2-methyl-4-phenylmethoxyanilino)imidazo[4,5-c]pyridin-2-one?
1-(4-methoxyphenyl)-3-methyl-6-(2-methyl-4-phenylmethoxyanilino)imidazo[4,5-c]pyridin-2-one has a molecular weight of 466.54 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methyl-6-(2-methyl-4-phenylmethoxyanilino)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 163220010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).