1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one

C26H25ClN4O — CID 155987017

About 1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one

1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 155987017) has the molecular formula C26H25ClN4O and a molecular weight of 444.97 g/mol. Its IUPAC name is 1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: 1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
• PubChem CID: 155987017
• Molecular Formula: C26H25ClN4O
• Molecular Weight: 444.97 g/mol
• Exact Mass: 444.17
• IUPAC Name: 1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
• SMILES: O=C(CCc1ccccc1)N1CCCC(c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1
• InChI: InChI=1S/C26H25ClN4O/c27-21-12-13-25-28-16-24(31(25)18-21)23-10-4-9-22(29-23)20-8-5-15-30(17-20)26(32)14-11-19-6-2-1-3-7-19/h1-4,6-7,9-10,12-13,16,18,20H,5,8,11,14-15,17H2
• InChIKey: KWYQREKWMORGAF-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 50.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.97
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one?

The IUPAC name of 1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 155987017) is 1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one.

What is the SMILES notation for 1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one?

The canonical SMILES for 1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCCC(c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1.

What is the InChIKey of 1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one?

The InChIKey is KWYQREKWMORGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O/c27-21-12-13-25-28-16-24(31(25)18-21)23-10-4-9-22(29-23)20-8-5-15-30(17-20)26(32)14-11-19-6-2-1-3-7-19/h1-4,6-7,9-10,12-13,16,18,20H,5,8,11,14-15,17H2.

What are the key properties of 1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one?

1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 444.97 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 155987017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).