(3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

C31H32FN5O — CID 167262140

About (3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

(3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 167262140) has the molecular formula C31H32FN5O and a molecular weight of 509.63 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

• Compound Name: (3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
• PubChem CID: 167262140
• Molecular Formula: C31H32FN5O
• Molecular Weight: 509.63 g/mol
• Exact Mass: 509.26
• IUPAC Name: (3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
• SMILES: CCc1ccc2cc(-c3nc4cc(C(=O)N5CCCC(N)C5)ccn4c3C)n(Cc3ccc(F)cc3)c2c1
• InChI: InChI=1S/C31H32FN5O/c1-3-21-6-9-23-16-28(37(27(23)15-21)18-22-7-10-25(32)11-8-22)30-20(2)36-14-12-24(17-29(36)34-30)31(38)35-13-4-5-26(33)19-35/h6-12,14-17,26H,3-5,13,18-19,33H2,1-2H3
• InChIKey: GLOGTFOZSCMYBT-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 68.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.63
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The IUPAC name of (3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 167262140) is (3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The canonical SMILES for (3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is CCc1ccc2cc(-c3nc4cc(C(=O)N5CCCC(N)C5)ccn4c3C)n(Cc3ccc(F)cc3)c2c1.

What is the InChIKey of (3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The InChIKey is GLOGTFOZSCMYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN5O/c1-3-21-6-9-23-16-28(37(27(23)15-21)18-22-7-10-25(32)11-8-22)30-20(2)36-14-12-24(17-29(36)34-30)31(38)35-13-4-5-26(33)19-35/h6-12,14-17,26H,3-5,13,18-19,33H2,1-2H3.

What are the key properties of (3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

(3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 509.63 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 167262140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).