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

C35H30N10 — CID 11671553

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

2-imidazol-1-yl-6-phenyl-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 11671553) has the molecular formula C35H30N10 and a molecular weight of 590.70 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-phenyl-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: 2-imidazol-1-yl-6-phenyl-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: 11671553
• Molecular Formula: C35H30N10
• Molecular Weight: 590.70 g/mol
• Exact Mass: 590.27
• IUPAC Name: 2-imidazol-1-yl-6-phenyl-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(-n4ccnc4)nc3nc2-c2ccc(CN3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1
• InChI: InChI=1S/C35H30N10/c1-2-6-25(7-3-1)29-20-28-21-38-35(45-19-16-36-23-45)41-32(28)39-31(29)26-11-9-24(10-12-26)22-44-17-13-27(14-18-44)33-40-34(43-42-33)30-8-4-5-15-37-30/h1-12,15-16,19-21,23,27H,13-14,17-18,22H2,(H,40,42,43)
• InChIKey: YSEFCBBQCYGIKD-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 114.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.70
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-phenyl-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 2-imidazol-1-yl-6-phenyl-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 11671553) is 2-imidazol-1-yl-6-phenyl-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 2-imidazol-1-yl-6-phenyl-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 2-imidazol-1-yl-6-phenyl-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(-n4ccnc4)nc3nc2-c2ccc(CN3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1.

What is the InChIKey of 2-imidazol-1-yl-6-phenyl-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 YSEFCBBQCYGIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N10/c1-2-6-25(7-3-1)29-20-28-21-38-35(45-19-16-36-23-45)41-32(28)39-31(29)26-11-9-24(10-12-26)22-44-17-13-27(14-18-44)33-40-34(43-42-33)30-8-4-5-15-37-30/h1-12,15-16,19-21,23,27H,13-14,17-18,22H2,(H,40,42,43).

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

2-imidazol-1-yl-6-phenyl-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 590.70 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-imidazol-1-yl-6-phenyl-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 11671553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).