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

C31H33F2N7O4 — CID 154943479

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

[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-3-hydroxypiperidin-4-yl]-piperazin-1-ylmethanone (PubChem CID 154943479) has the molecular formula C31H33F2N7O4 and a molecular weight of 605.65 g/mol. Its IUPAC name is [1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-3-hydroxypiperidin-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

• Compound Name: [1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-3-hydroxypiperidin-4-yl]-piperazin-1-ylmethanone
• PubChem CID: 154943479
• Molecular Formula: C31H33F2N7O4
• Molecular Weight: 605.65 g/mol
• Exact Mass: 605.26
• IUPAC Name: [1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-3-hydroxypiperidin-4-yl]-piperazin-1-ylmethanone
• SMILES: Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCC(C(=O)N2CCNCC2)C(O)C1
• InChI: InChI=1S/C31H33F2N7O4/c1-19-16-21(4-7-23(19)29(42)39-12-8-24(26(41)18-39)30(43)38-13-9-34-10-14-38)37-27-28-36-17-25(40(28)15-11-35-27)20-2-5-22(6-3-20)44-31(32)33/h2-7,11,15-17,24,26,31,34,41H,8-10,12-14,18H2,1H3,(H,35,37)
• InChIKey: HKGZHTOBQROVHF-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 124.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.65
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-3-hydroxypiperidin-4-yl]-piperazin-1-ylmethanone (CID 154943479) is [1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-3-hydroxypiperidin-4-yl]-piperazin-1-ylmethanone.

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

The canonical SMILES for [1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-3-hydroxypiperidin-4-yl]-piperazin-1-ylmethanone is Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCC(C(=O)N2CCNCC2)C(O)C1.

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

The InChIKey is HKGZHTOBQROVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F2N7O4/c1-19-16-21(4-7-23(19)29(42)39-12-8-24(26(41)18-39)30(43)38-13-9-34-10-14-38)37-27-28-36-17-25(40(28)15-11-35-27)20-2-5-22(6-3-20)44-31(32)33/h2-7,11,15-17,24,26,31,34,41H,8-10,12-14,18H2,1H3,(H,35,37).

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

[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-3-hydroxypiperidin-4-yl]-piperazin-1-ylmethanone has a molecular weight of 605.65 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-3-hydroxypiperidin-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 154943479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).