[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone

C24H26N6O — CID 97446982

About [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone

[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone (PubChem CID 97446982) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone
• PubChem CID: 97446982
• Molecular Formula: C24H26N6O
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.22
• IUPAC Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone
• SMILES: Cc1nc(-c2cc(C(=O)N3CC[C@@H](N(C)C)C3)c3ccccn23)cn1-c1ccccn1
• InChI: InChI=1S/C24H26N6O/c1-17-26-20(16-30(17)23-9-4-6-11-25-23)22-14-19(21-8-5-7-12-29(21)22)24(31)28-13-10-18(15-28)27(2)3/h4-9,11-12,14,16,18H,10,13,15H2,1-3H3/t18-/m1/s1
• InChIKey: LDTAULXXKZEKIB-GOSISDBHSA-N
• XLogP: 3.27
• TPSA: 58.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone?

The IUPAC name of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone (CID 97446982) is [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone.

What is the SMILES notation for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone?

The canonical SMILES for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone is Cc1nc(-c2cc(C(=O)N3CC[C@@H](N(C)C)C3)c3ccccn23)cn1-c1ccccn1.

What is the InChIKey of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone?

The InChIKey is LDTAULXXKZEKIB-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N6O/c1-17-26-20(16-30(17)23-9-4-6-11-25-23)22-14-19(21-8-5-7-12-29(21)22)24(31)28-13-10-18(15-28)27(2)3/h4-9,11-12,14,16,18H,10,13,15H2,1-3H3/t18-/m1/s1.

What are the key properties of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone?

[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone has a molecular weight of 414.51 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone is sourced from PubChem (CID 97446982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).