6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine

C32H27F2N7 — CID 67028145

About 6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine

6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 67028145) has the molecular formula C32H27F2N7 and a molecular weight of 547.61 g/mol. Its IUPAC name is 6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
• PubChem CID: 67028145
• Molecular Formula: C32H27F2N7
• Molecular Weight: 547.61 g/mol
• Exact Mass: 547.23
• IUPAC Name: 6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
• SMILES: Fc1cc(F)c2nc(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)n2c1
• InChI: InChI=1S/C32H27F2N7/c33-25-18-26(34)32-36-28(29(41(32)20-25)23-6-2-1-3-7-23)22-11-9-21(10-12-22)19-40-16-13-24(14-17-40)30-37-31(39-38-30)27-8-4-5-15-35-27/h1-12,15,18,20,24H,13-14,16-17,19H2,(H,37,38,39)
• InChIKey: DGVPKFWVYPVUDL-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.61
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine?

The IUPAC name of 6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine (CID 67028145) is 6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine.

What is the SMILES notation for 6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine?

The canonical SMILES for 6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine is Fc1cc(F)c2nc(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)n2c1.

What is the InChIKey of 6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine?

The InChIKey is DGVPKFWVYPVUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F2N7/c33-25-18-26(34)32-36-28(29(41(32)20-25)23-6-2-1-3-7-23)22-11-9-21(10-12-22)19-40-16-13-24(14-17-40)30-37-31(39-38-30)27-8-4-5-15-35-27/h1-12,15,18,20,24H,13-14,16-17,19H2,(H,37,38,39).

What are the key properties of 6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine?

6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 547.61 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-difluoro-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 67028145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).