6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C32H27F3N8 — CID 25190040

About 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine

6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 25190040) has the molecular formula C32H27F3N8 and a molecular weight of 580.62 g/mol. Its IUPAC name is 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

• Compound Name: 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
• PubChem CID: 25190040
• Molecular Formula: C32H27F3N8
• Molecular Weight: 580.62 g/mol
• Exact Mass: 580.23
• IUPAC Name: 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
• SMILES: FC(F)(F)c1cn2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc2n1
• InChI: InChI=1S/C32H27F3N8/c33-32(34,35)27-20-43-19-25(22-6-2-1-3-7-22)28(38-31(43)37-27)23-11-9-21(10-12-23)18-42-16-13-24(14-17-42)29-39-30(41-40-29)26-8-4-5-15-36-26/h1-12,15,19-20,24H,13-14,16-18H2,(H,39,40,41)
• InChIKey: FYJRJYAYKPMWIA-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 87.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.62
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?

The IUPAC name of 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 25190040) is 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

What is the SMILES notation for 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?

The canonical SMILES for 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine is FC(F)(F)c1cn2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc2n1.

What is the InChIKey of 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?

The InChIKey is FYJRJYAYKPMWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F3N8/c33-32(34,35)27-20-43-19-25(22-6-2-1-3-7-22)28(38-31(43)37-27)23-11-9-21(10-12-23)18-42-16-13-24(14-17-42)29-39-30(41-40-29)26-8-4-5-15-36-26/h1-12,15,19-20,24H,13-14,16-18H2,(H,39,40,41).

What are the key properties of 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?

6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 580.62 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 25190040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).