(4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C32H34N4O5 — CID 163840290

About (4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

(4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 163840290) has the molecular formula C32H34N4O5 and a molecular weight of 554.65 g/mol. Its IUPAC name is (4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
• PubChem CID: 163840290
• Molecular Formula: C32H34N4O5
• Molecular Weight: 554.65 g/mol
• Exact Mass: 554.25
• IUPAC Name: (4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
• SMILES: C=C(Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C3CC3)c12)[C@@H]1CC(=O)N([C@H](C)c2ccc(OC)cc2)C1
• InChI: InChI=1S/C32H34N4O5/c1-19(21-6-11-25(38-3)12-7-21)35-17-23(15-30(35)37)20(2)41-32-31-27(33-18-36(31)24-9-10-24)16-26(34-32)22-8-13-28(39-4)29(14-22)40-5/h6-8,11-14,16,18-19,23-24H,2,9-10,15,17H2,1,3-5H3/t19-,23-/m1/s1
• InChIKey: OLJQDPRMUZLEJU-AUSIDOKSSA-N
• XLogP: 5.96
• TPSA: 87.94 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.65
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?

The IUPAC name of (4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 163840290) is (4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

What is the SMILES notation for (4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?

The canonical SMILES for (4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is C=C(Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C3CC3)c12)[C@@H]1CC(=O)N([C@H](C)c2ccc(OC)cc2)C1.

What is the InChIKey of (4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?

The InChIKey is OLJQDPRMUZLEJU-AUSIDOKSSA-N. The full InChI is InChI=1S/C32H34N4O5/c1-19(21-6-11-25(38-3)12-7-21)35-17-23(15-30(35)37)20(2)41-32-31-27(33-18-36(31)24-9-10-24)16-26(34-32)22-8-13-28(39-4)29(14-22)40-5/h6-8,11-14,16,18-19,23-24H,2,9-10,15,17H2,1,3-5H3/t19-,23-/m1/s1.

What are the key properties of (4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?

(4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 554.65 g/mol, XLogP of 5.96, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[1-[3-cyclopropyl-6-(3,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethenyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 163840290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).