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

C29H28FN5O — CID 155011359

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

(3-aminopiperidin-1-yl)-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 155011359) has the molecular formula C29H28FN5O and a molecular weight of 481.58 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

• Compound Name: (3-aminopiperidin-1-yl)-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
• PubChem CID: 155011359
• Molecular Formula: C29H28FN5O
• Molecular Weight: 481.58 g/mol
• Exact Mass: 481.23
• IUPAC Name: (3-aminopiperidin-1-yl)-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
• SMILES: Cc1c(-c2cc3ccccc3n2Cc2ccccc2F)nc2cc(C(=O)N3CCCC(N)C3)ccn12
• InChI: InChI=1S/C29H28FN5O/c1-19-28(32-27-16-21(12-14-34(19)27)29(36)33-13-6-9-23(31)18-33)26-15-20-7-3-5-11-25(20)35(26)17-22-8-2-4-10-24(22)30/h2-5,7-8,10-12,14-16,23H,6,9,13,17-18,31H2,1H3
• InChIKey: YTXWQOYLAPTGJN-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 68.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.58
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3-aminopiperidin-1-yl)-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 155011359) is (3-aminopiperidin-1-yl)-[2-[1-[(2-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-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The canonical SMILES for (3-aminopiperidin-1-yl)-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is Cc1c(-c2cc3ccccc3n2Cc2ccccc2F)nc2cc(C(=O)N3CCCC(N)C3)ccn12.

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

The InChIKey is YTXWQOYLAPTGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O/c1-19-28(32-27-16-21(12-14-34(19)27)29(36)33-13-6-9-23(31)18-33)26-15-20-7-3-5-11-25(20)35(26)17-22-8-2-4-10-24(22)30/h2-5,7-8,10-12,14-16,23H,6,9,13,17-18,31H2,1H3.

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

(3-aminopiperidin-1-yl)-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 481.58 g/mol, XLogP of 5.02, 4 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-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 155011359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).