[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone

C27H27N3O4 — CID 51930186

About [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone

[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone (PubChem CID 51930186) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone.

Molecular Properties

• Compound Name: [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
• PubChem CID: 51930186
• Molecular Formula: C27H27N3O4
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.20
• IUPAC Name: [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
• SMILES: COc1ccc([C@H]2CCCN2C(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1OC
• InChI: InChI=1S/C27H27N3O4/c1-32-24-12-11-19(16-25(24)33-2)23-9-6-14-30(23)27(31)20-7-5-8-22(15-20)34-18-21-17-29-13-4-3-10-26(29)28-21/h3-5,7-8,10-13,15-17,23H,6,9,14,18H2,1-2H3/t23-/m1/s1
• InChIKey: KIORSNGQMQBGHS-HSZRJFAPSA-N
• XLogP: 4.91
• TPSA: 65.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?

The IUPAC name of [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone (CID 51930186) is [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone.

What is the SMILES notation for [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?

The canonical SMILES for [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone is COc1ccc([C@H]2CCCN2C(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1OC.

What is the InChIKey of [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?

The InChIKey is KIORSNGQMQBGHS-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-32-24-12-11-19(16-25(24)33-2)23-9-6-14-30(23)27(31)20-7-5-8-22(15-20)34-18-21-17-29-13-4-3-10-26(29)28-21/h3-5,7-8,10-13,15-17,23H,6,9,14,18H2,1-2H3/t23-/m1/s1.

What are the key properties of [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?

[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone has a molecular weight of 457.53 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 51930186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).