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

C28H30Cl2N8O2 — CID 56836991

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

1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone (PubChem CID 56836991) has the molecular formula C28H30Cl2N8O2 and a molecular weight of 581.51 g/mol. Its IUPAC name is 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)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-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone
• PubChem CID: 56836991
• Molecular Formula: C28H30Cl2N8O2
• Molecular Weight: 581.51 g/mol
• Exact Mass: 580.19
• IUPAC Name: 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone
• SMILES: Cc1ccc2nc(-c3ccc(N4CCOCC4)nc3)c(NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)n2c1
• InChI: InChI=1S/C28H30Cl2N8O2/c1-19-2-4-24-34-26(20-3-5-23(32-14-20)35-10-12-40-13-11-35)28(38(24)18-19)33-17-25(39)36-6-8-37(9-7-36)27-21(29)15-31-16-22(27)30/h2-5,14-16,18,33H,6-13,17H2,1H3
• InChIKey: VFYUXJVJXTVKNB-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 91.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.51
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)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-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone (CID 56836991) is 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)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-methyl-2-(6-morpholin-4-yl-3-pyridinyl)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-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone is Cc1ccc2nc(-c3ccc(N4CCOCC4)nc3)c(NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)n2c1.

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

The InChIKey is VFYUXJVJXTVKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N8O2/c1-19-2-4-24-34-26(20-3-5-23(32-14-20)35-10-12-40-13-11-35)28(38(24)18-19)33-17-25(39)36-6-8-37(9-7-36)27-21(29)15-31-16-22(27)30/h2-5,14-16,18,33H,6-13,17H2,1H3.

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

1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone has a molecular weight of 581.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone is sourced from PubChem (CID 56836991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).