2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide

C29H31F2N7O3 — CID 151893338

About 2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 151893338) has the molecular formula C29H31F2N7O3 and a molecular weight of 563.61 g/mol. Its IUPAC name is 2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide
• PubChem CID: 151893338
• Molecular Formula: C29H31F2N7O3
• Molecular Weight: 563.61 g/mol
• Exact Mass: 563.25
• IUPAC Name: 2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide
• SMILES: Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCN(CC(=O)N(C)C)CC1
• InChI: InChI=1S/C29H31F2N7O3/c1-19-16-21(6-9-23(19)28(40)37-14-12-36(13-15-37)18-25(39)35(2)3)34-26-27-33-17-24(38(27)11-10-32-26)20-4-7-22(8-5-20)41-29(30)31/h4-11,16-17,29H,12-15,18H2,1-3H3,(H,32,34)
• InChIKey: SRESTJLSXSERIZ-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 95.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.61
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 151893338) is 2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide is Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCN(CC(=O)N(C)C)CC1.

What is the InChIKey of 2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide?

The InChIKey is SRESTJLSXSERIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N7O3/c1-19-16-21(6-9-23(19)28(40)37-14-12-36(13-15-37)18-25(39)35(2)3)34-26-27-33-17-24(38(27)11-10-32-26)20-4-7-22(8-5-20)41-29(30)31/h4-11,16-17,29H,12-15,18H2,1-3H3,(H,32,34).

What are the key properties of 2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide?

2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 563.61 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 151893338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).