3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile

C65H57N15 — CID 87242724

About 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile

3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile (PubChem CID 87242724) has the molecular formula C65H57N15 and a molecular weight of 1048.28 g/mol. Its IUPAC name is 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile.

Molecular Properties

• Compound Name: 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile
• PubChem CID: 87242724
• Molecular Formula: C65H57N15
• Molecular Weight: 1048.28 g/mol
• Exact Mass: 1047.49
• IUPAC Name: 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile
• SMILES: N#Cc1ccn2c(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc2c1.c1ccc(-c2c(-c3ccc(CN4CCC(c5cc(-c6ccccn6)n[nH]5)CC4)cc3)nc3ncccn23)cc1
• InChI: InChI=1S/C33H28N8.C32H29N7/c34-21-24-13-19-41-29(20-24)36-30(31(41)26-6-2-1-3-7-26)25-11-9-23(10-12-25)22-40-17-14-27(15-18-40)32-37-33(39-38-32)28-8-4-5-16-35-28;1-2-7-26(8-3-1)31-30(35-32-34-17-6-18-39(31)32)25-12-10-23(11-13-25)22-38-19-14-24(15-20-38)28-21-29(37-36-28)27-9-4-5-16-33-27/h1-13,16,19-20,27H,14-15,17-18,22H2,(H,37,38,39);1-13,16-18,21,24H,14-15,19-20,22H2,(H,36,37)
• InChIKey: HSQLRJCKELUBSW-UHFFFAOYSA-N
• XLogP: 12.33
• TPSA: 173.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1048.28
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile?

The IUPAC name of 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile (CID 87242724) is 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile.

What is the SMILES notation for 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile?

The canonical SMILES for 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile is N#Cc1ccn2c(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc2c1.c1ccc(-c2c(-c3ccc(CN4CCC(c5cc(-c6ccccn6)n[nH]5)CC4)cc3)nc3ncccn23)cc1.

What is the InChIKey of 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile?

The InChIKey is HSQLRJCKELUBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N8.C32H29N7/c34-21-24-13-19-41-29(20-24)36-30(31(41)26-6-2-1-3-7-26)25-11-9-23(10-12-25)22-40-17-14-27(15-18-40)32-37-33(39-38-32)28-8-4-5-16-35-28;1-2-7-26(8-3-1)31-30(35-32-34-17-6-18-39(31)32)25-12-10-23(11-13-25)22-38-19-14-24(15-20-38)28-21-29(37-36-28)27-9-4-5-16-33-27/h1-13,16,19-20,27H,14-15,17-18,22H2,(H,37,38,39);1-13,16-18,21,24H,14-15,19-20,22H2,(H,36,37).

What are the key properties of 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile?

3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile has a molecular weight of 1048.28 g/mol, XLogP of 12.33, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine;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-7-carbonitrile is sourced from PubChem (CID 87242724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).