6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine

C37H38N10 — CID 44560678

About 6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine

6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine (PubChem CID 44560678) has the molecular formula C37H38N10 and a molecular weight of 622.78 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine.

Molecular Properties

• Compound Name: 6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine
• PubChem CID: 44560678
• Molecular Formula: C37H38N10
• Molecular Weight: 622.78 g/mol
• Exact Mass: 622.33
• IUPAC Name: 6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine
• SMILES: CN1CCN(c2ccc3nc(-c4ccc(CN5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)c(-c4ccccc4)nc3n2)CC1
• InChI: InChI=1S/C37H38N10/c1-45-21-23-47(24-22-45)32-15-14-31-36(40-32)41-34(27-7-3-2-4-8-27)33(39-31)28-12-10-26(11-13-28)25-46-19-16-29(17-20-46)35-42-37(44-43-35)30-9-5-6-18-38-30/h2-15,18,29H,16-17,19-25H2,1H3,(H,42,43,44)
• InChIKey: FEGHNCJTPWNNJZ-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 102.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.78
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine?

The IUPAC name of 6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine (CID 44560678) is 6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine.

What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine?

The canonical SMILES for 6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine is CN1CCN(c2ccc3nc(-c4ccc(CN5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)c(-c4ccccc4)nc3n2)CC1.

What is the InChIKey of 6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine?

The InChIKey is FEGHNCJTPWNNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N10/c1-45-21-23-47(24-22-45)32-15-14-31-36(40-32)41-34(27-7-3-2-4-8-27)33(39-31)28-12-10-26(11-13-28)25-46-19-16-29(17-20-46)35-42-37(44-43-35)30-9-5-6-18-38-30/h2-15,18,29H,16-17,19-25H2,1H3,(H,42,43,44).

What are the key properties of 6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine?

6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine has a molecular weight of 622.78 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methylpiperazin-1-yl)-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazine is sourced from PubChem (CID 44560678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).