1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone

C29H32Cl2N8O — CID 56837007

About 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone

1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone (PubChem CID 56837007) has the molecular formula C29H32Cl2N8O and a molecular weight of 579.54 g/mol. Its IUPAC name is 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone.

Molecular Properties

• Compound Name: 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone
• PubChem CID: 56837007
• Molecular Formula: C29H32Cl2N8O
• Molecular Weight: 579.54 g/mol
• Exact Mass: 578.21
• IUPAC Name: 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone
• SMILES: CC(C)N1CCCc2cc(-c3nc4cnccn4c3NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)ccc21
• InChI: InChI=1S/C29H32Cl2N8O/c1-19(2)38-8-3-4-20-14-21(5-6-24(20)38)27-29(39-9-7-32-17-25(39)35-27)34-18-26(40)36-10-12-37(13-11-36)28-22(30)15-33-16-23(28)31/h5-7,9,14-17,19,34H,3-4,8,10-13,18H2,1-2H3
• InChIKey: DHLYUGQIJOVYCB-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 81.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.54
LogP ≤ 5	5.02
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-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?

The IUPAC name of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone (CID 56837007) is 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone.

What is the SMILES notation for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?

The canonical SMILES for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone is CC(C)N1CCCc2cc(-c3nc4cnccn4c3NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)ccc21.

What is the InChIKey of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?

The InChIKey is DHLYUGQIJOVYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N8O/c1-19(2)38-8-3-4-20-14-21(5-6-24(20)38)27-29(39-9-7-32-17-25(39)35-27)34-18-26(40)36-10-12-37(13-11-36)28-22(30)15-33-16-23(28)31/h5-7,9,14-17,19,34H,3-4,8,10-13,18H2,1-2H3.

What are the key properties of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?

1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone has a molecular weight of 579.54 g/mol, XLogP of 5.02, 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-[[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone is sourced from PubChem (CID 56837007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).