6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine

C37H37N9 — CID 11542208

About 6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine

6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine (PubChem CID 11542208) has the molecular formula C37H37N9 and a molecular weight of 607.77 g/mol. Its IUPAC name is 6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine
• PubChem CID: 11542208
• Molecular Formula: C37H37N9
• Molecular Weight: 607.77 g/mol
• Exact Mass: 607.32
• IUPAC Name: 6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine
• SMILES: c1ccc(-c2cc3cnc(N4CCCCC4)nc3nc2-c2ccc(CN3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1
• InChI: InChI=1S/C37H37N9/c1-3-9-27(10-4-1)31-23-30-24-39-37(46-19-7-2-8-20-46)42-34(30)40-33(31)28-14-12-26(13-15-28)25-45-21-16-29(17-22-45)35-41-36(44-43-35)32-11-5-6-18-38-32/h1,3-6,9-15,18,23-24,29H,2,7-8,16-17,19-22,25H2,(H,41,43,44)
• InChIKey: RYUMJRVPFLUECC-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 99.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.77
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine?

The IUPAC name of 6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine (CID 11542208) is 6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine.

What is the SMILES notation for 6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine?

The canonical SMILES for 6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine is c1ccc(-c2cc3cnc(N4CCCCC4)nc3nc2-c2ccc(CN3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1.

What is the InChIKey of 6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine?

The InChIKey is RYUMJRVPFLUECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N9/c1-3-9-27(10-4-1)31-23-30-24-39-37(46-19-7-2-8-20-46)42-34(30)40-33(31)28-14-12-26(13-15-28)25-45-21-16-29(17-22-45)35-41-36(44-43-35)32-11-5-6-18-38-32/h1,3-6,9-15,18,23-24,29H,2,7-8,16-17,19-22,25H2,(H,41,43,44).

What are the key properties of 6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine?

6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine has a molecular weight of 607.77 g/mol, XLogP of 6.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-2-piperidin-1-yl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 11542208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).