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]pyrazine

C32H30N8O — CID 25188679

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]pyrazine

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]pyrazine (PubChem CID 25188679) has the molecular formula C32H30N8O and a molecular weight of 542.65 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]pyrazine.

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]pyrazine
• PubChem CID: 25188679
• Molecular Formula: C32H30N8O
• Molecular Weight: 542.65 g/mol
• Exact Mass: 542.25
• 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]pyrazine
• SMILES: COc1nccn2c(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc12
• InChI: InChI=1S/C32H30N8O/c1-41-32-31-35-27(28(40(31)20-17-34-32)24-7-3-2-4-8-24)23-12-10-22(11-13-23)21-39-18-14-25(15-19-39)29-36-30(38-37-29)26-9-5-6-16-33-26/h2-13,16-17,20,25H,14-15,18-19,21H2,1H3,(H,36,37,38)
• InChIKey: YIXJOIRXNBGIPB-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 97.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.65
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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]pyrazine?

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]pyrazine (CID 25188679) 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]pyrazine.

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]pyrazine?

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]pyrazine is COc1nccn2c(-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]pyrazine?

The InChIKey is YIXJOIRXNBGIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N8O/c1-41-32-31-35-27(28(40(31)20-17-34-32)24-7-3-2-4-8-24)23-12-10-22(11-13-23)21-39-18-14-25(15-19-39)29-36-30(38-37-29)26-9-5-6-16-33-26/h2-13,16-17,20,25H,14-15,18-19,21H2,1H3,(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]pyrazine?

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]pyrazine has a molecular weight of 542.65 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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]pyrazine is sourced from PubChem (CID 25188679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).