1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one

C28H28F6N8O2 — CID 158825127

About 1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one

1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one (PubChem CID 158825127) has the molecular formula C28H28F6N8O2 and a molecular weight of 622.57 g/mol. Its IUPAC name is 1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one.

Molecular Properties

• Compound Name: 1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one
• PubChem CID: 158825127
• Molecular Formula: C28H28F6N8O2
• Molecular Weight: 622.57 g/mol
• Exact Mass: 622.22
• IUPAC Name: 1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one
• SMILES: O=C(CCc1nccc(OC(F)F)c1F)c1cn(Cc2cn3cc(C4CC4)cc(N4CCN(CC(F)(F)F)CC4)c3n2)nn1
• InChI: InChI=1S/C28H28F6N8O2/c29-25-20(35-6-5-24(25)44-27(30)31)3-4-23(43)21-15-42(38-37-21)14-19-13-41-12-18(17-1-2-17)11-22(26(41)36-19)40-9-7-39(8-10-40)16-28(32,33)34/h5-6,11-13,15,17,27H,1-4,7-10,14,16H2
• InChIKey: IWIYJPZIZCSCBT-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 93.68 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.57
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one?

The IUPAC name of 1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one (CID 158825127) is 1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one.

What is the SMILES notation for 1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one?

The canonical SMILES for 1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one is O=C(CCc1nccc(OC(F)F)c1F)c1cn(Cc2cn3cc(C4CC4)cc(N4CCN(CC(F)(F)F)CC4)c3n2)nn1.

What is the InChIKey of 1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one?

The InChIKey is IWIYJPZIZCSCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F6N8O2/c29-25-20(35-6-5-24(25)44-27(30)31)3-4-23(43)21-15-42(38-37-21)14-19-13-41-12-18(17-1-2-17)11-22(26(41)36-19)40-9-7-39(8-10-40)16-28(32,33)34/h5-6,11-13,15,17,27H,1-4,7-10,14,16H2.

What are the key properties of 1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one?

1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one has a molecular weight of 622.57 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one is sourced from PubChem (CID 158825127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).