4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C24H30N4O4 — CID 123901063

IUPAC4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3nc(C)n(C(C)C)c3c(OC(C)C3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C24H30N4O4/c1-13(2)28-15(4)26-19-11-18(16-7-8-20(30-5)21(9-16)31-6)27-24(23(19)28)32-14(3)17-10-22(29)25-12-17/h7-9,11,13-14,17H,10,12H2,1-6H3,(H,25,29)
InChIKeyZTWJESAKBDJJPL-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.91
Rot. Bonds7

About 4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 123901063) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID123901063
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3nc(C)n(C(C)C)c3c(OC(C)C3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C24H30N4O4/c1-13(2)28-15(4)26-19-11-18(16-7-8-20(30-5)21(9-16)31-6)27-24(23(19)28)32-14(3)17-10-22(29)25-12-17/h7-9,11,13-14,17H,10,12H2,1-6H3,(H,25,29)
InChIKeyZTWJESAKBDJJPL-UHFFFAOYSA-N
XLogP3.91
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 123901063) is 4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COc1ccc(-c2cc3nc(C)n(C(C)C)c3c(OC(C)C3CNC(=O)C3)n2)cc1OC.
What is the InChIKey of 4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is ZTWJESAKBDJJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-13(2)28-15(4)26-19-11-18(16-7-8-20(30-5)21(9-16)31-6)27-24(23(19)28)32-14(3)17-10-22(29)25-12-17/h7-9,11,13-14,17H,10,12H2,1-6H3,(H,25,29).
What are the key properties of 4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 438.53 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 123901063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).