3-(3-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 25188134

About 3-(3-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-(3-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 25188134) has the molecular formula C32H28FN7 and a molecular weight of 529.62 g/mol. Its IUPAC name is 3-(3-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-(3-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: 25188134
• Molecular Formula: C32H28FN7
• Molecular Weight: 529.62 g/mol
• Exact Mass: 529.24
• IUPAC Name: 3-(3-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: Fc1cccc(-c2c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc3ccccn23)c1
• InChI: InChI=1S/C32H28FN7/c33-26-7-5-6-25(20-26)30-29(35-28-9-2-4-17-40(28)30)23-12-10-22(11-13-23)21-39-18-14-24(15-19-39)31-36-32(38-37-31)27-8-1-3-16-34-27/h1-13,16-17,20,24H,14-15,18-19,21H2,(H,36,37,38)
• InChIKey: DUDXYVXTGUAGGM-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-(3-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-(3-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 25188134) is 3-(3-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-(3-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-(3-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 Fc1cccc(-c2c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc3ccccn23)c1.

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

What are the key properties of 3-(3-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-(3-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-(3-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 25188134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).