3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C25H30N6O2 — CID 26396024

About 3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 26396024) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
• PubChem CID: 26396024
• Molecular Formula: C25H30N6O2
• Molecular Weight: 446.56 g/mol
• Exact Mass: 446.24
• IUPAC Name: 3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
• SMILES: O=C(CC[C@@H]1CCCN(C(=O)c2cn3ccccc3n2)C1)N1CCN(c2ccccn2)CC1
• InChI: InChI=1S/C25H30N6O2/c32-24(29-16-14-28(15-17-29)22-7-1-3-11-26-22)10-9-20-6-5-13-31(18-20)25(33)21-19-30-12-4-2-8-23(30)27-21/h1-4,7-8,11-12,19-20H,5-6,9-10,13-18H2/t20-/m0/s1
• InChIKey: ICOXOUKIAIWBCU-FQEVSTJZSA-N
• XLogP: 2.71
• TPSA: 74.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.56
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?

The IUPAC name of 3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 26396024) is 3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

What is the SMILES notation for 3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?

The canonical SMILES for 3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is O=C(CC[C@@H]1CCCN(C(=O)c2cn3ccccc3n2)C1)N1CCN(c2ccccn2)CC1.

What is the InChIKey of 3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?

The InChIKey is ICOXOUKIAIWBCU-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H30N6O2/c32-24(29-16-14-28(15-17-29)22-7-1-3-11-26-22)10-9-20-6-5-13-31(18-20)25(33)21-19-30-12-4-2-8-23(30)27-21/h1-4,7-8,11-12,19-20H,5-6,9-10,13-18H2/t20-/m0/s1.

What are the key properties of 3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?

3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 446.56 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 26396024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).