8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine

C32H27F3N8 — CID 46869902

About 8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine

8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine (PubChem CID 46869902) has the molecular formula C32H27F3N8 and a molecular weight of 580.62 g/mol. Its IUPAC name is 8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine.

Molecular Properties

• Compound Name: 8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine
• PubChem CID: 46869902
• Molecular Formula: C32H27F3N8
• Molecular Weight: 580.62 g/mol
• Exact Mass: 580.23
• IUPAC Name: 8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine
• SMILES: FC(F)(F)c1ccnc(-c2n[nH]c(C3CCN(Cc4ccc(-c5ncn6ccnc6c5-c5ccccc5)cc4)CC3)n2)c1
• InChI: InChI=1S/C32H27F3N8/c33-32(34,35)25-10-13-36-26(18-25)30-39-29(40-41-30)24-11-15-42(16-12-24)19-21-6-8-23(9-7-21)28-27(22-4-2-1-3-5-22)31-37-14-17-43(31)20-38-28/h1-10,13-14,17-18,20,24H,11-12,15-16,19H2,(H,39,40,41)
• InChIKey: FFUBVIATCJQSCI-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 8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine?

The IUPAC name of 8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine (CID 46869902) is 8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine.

What is the SMILES notation for 8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine?

The canonical SMILES for 8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine is FC(F)(F)c1ccnc(-c2n[nH]c(C3CCN(Cc4ccc(-c5ncn6ccnc6c5-c5ccccc5)cc4)CC3)n2)c1.

What is the InChIKey of 8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine?

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

What are the key properties of 8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine?

8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]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 8-phenyl-7-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 46869902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).