1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone

C28H28Cl2FN7O2 — CID 56836964

About 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone

1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone (PubChem CID 56836964) has the molecular formula C28H28Cl2FN7O2 and a molecular weight of 584.48 g/mol. Its IUPAC name is 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone.

Molecular Properties

• Compound Name: 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone
• PubChem CID: 56836964
• Molecular Formula: C28H28Cl2FN7O2
• Molecular Weight: 584.48 g/mol
• Exact Mass: 583.17
• IUPAC Name: 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone
• SMILES: O=C(CNc1c(-c2ccc(N3CCOCC3)cc2)nc2ccc(F)cn12)N1CCN(c2c(Cl)cncc2Cl)CC1
• InChI: InChI=1S/C28H28Cl2FN7O2/c29-22-15-32-16-23(30)27(22)37-9-7-36(8-10-37)25(39)17-33-28-26(34-24-6-3-20(31)18-38(24)28)19-1-4-21(5-2-19)35-11-13-40-14-12-35/h1-6,15-16,18,33H,7-14,17H2
• InChIKey: KOZWNKJCFHZZTN-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 78.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.48
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone?

The IUPAC name of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone (CID 56836964) is 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone.

What is the SMILES notation for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone?

The canonical SMILES for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone is O=C(CNc1c(-c2ccc(N3CCOCC3)cc2)nc2ccc(F)cn12)N1CCN(c2c(Cl)cncc2Cl)CC1.

What is the InChIKey of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone?

The InChIKey is KOZWNKJCFHZZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2FN7O2/c29-22-15-32-16-23(30)27(22)37-9-7-36(8-10-37)25(39)17-33-28-26(34-24-6-3-20(31)18-38(24)28)19-1-4-21(5-2-19)35-11-13-40-14-12-35/h1-6,15-16,18,33H,7-14,17H2.

What are the key properties of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone?

1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone has a molecular weight of 584.48 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone is sourced from PubChem (CID 56836964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).