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

C32H28FN7 — CID 141233448

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

3-(2-fluorophenyl)-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 141233448) has the molecular formula C32H28FN7 and a molecular weight of 529.62 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-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: 3-(2-fluorophenyl)-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: 141233448
• Molecular Formula: C32H28FN7
• Molecular Weight: 529.62 g/mol
• Exact Mass: 529.24
• IUPAC Name: 3-(2-fluorophenyl)-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: Fc1ccccc1-c1c(-c2ccc(CN3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)nc2ccccn12
• InChI: InChI=1S/C32H28FN7/c33-26-8-2-1-7-25(26)30-29(35-28-10-4-6-18-40(28)30)23-13-11-22(12-14-23)21-39-19-15-24(16-20-39)31-36-32(38-37-31)27-9-3-5-17-34-27/h1-14,17-18,24H,15-16,19-21H2,(H,36,37,38)
• InChIKey: QVXYOPWQVNGZDY-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.62
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-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 3-(2-fluorophenyl)-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 141233448) is 3-(2-fluorophenyl)-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 3-(2-fluorophenyl)-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 3-(2-fluorophenyl)-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 Fc1ccccc1-c1c(-c2ccc(CN3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)nc2ccccn12.

What is the InChIKey of 3-(2-fluorophenyl)-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 QVXYOPWQVNGZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN7/c33-26-8-2-1-7-25(26)30-29(35-28-10-4-6-18-40(28)30)23-13-11-22(12-14-23)21-39-19-15-24(16-20-39)31-36-32(38-37-31)27-9-3-5-17-34-27/h1-14,17-18,24H,15-16,19-21H2,(H,36,37,38).

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

3-(2-fluorophenyl)-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 529.62 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-fluorophenyl)-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 141233448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).