8-methoxy-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

C33H31N7O — CID 25188133

About 8-methoxy-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

8-methoxy-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 25188133) has the molecular formula C33H31N7O and a molecular weight of 541.66 g/mol. Its IUPAC name is 8-methoxy-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: 8-methoxy-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: 25188133
• Molecular Formula: C33H31N7O
• Molecular Weight: 541.66 g/mol
• Exact Mass: 541.26
• IUPAC Name: 8-methoxy-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: COc1cccn2c(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc12
• InChI: InChI=1S/C33H31N7O/c1-41-28-11-7-19-40-30(25-8-3-2-4-9-25)29(35-33(28)40)24-14-12-23(13-15-24)22-39-20-16-26(17-21-39)31-36-32(38-37-31)27-10-5-6-18-34-27/h2-15,18-19,26H,16-17,20-22H2,1H3,(H,36,37,38)
• InChIKey: XTIJNNUQMVAVJF-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 84.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.66
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-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 8-methoxy-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 25188133) is 8-methoxy-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 8-methoxy-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 8-methoxy-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 COc1cccn2c(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc12.

What is the InChIKey of 8-methoxy-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 XTIJNNUQMVAVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N7O/c1-41-28-11-7-19-40-30(25-8-3-2-4-9-25)29(35-33(28)40)24-14-12-23(13-15-24)22-39-20-16-26(17-21-39)31-36-32(38-37-31)27-10-5-6-18-34-27/h2-15,18-19,26H,16-17,20-22H2,1H3,(H,36,37,38).

What are the key properties of 8-methoxy-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?

8-methoxy-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 541.66 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-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 25188133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).