6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine

C32H29FN8 — CID 68795214

About 6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine

6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 68795214) has the molecular formula C32H29FN8 and a molecular weight of 544.64 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

• Compound Name: 6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine
• PubChem CID: 68795214
• Molecular Formula: C32H29FN8
• Molecular Weight: 544.64 g/mol
• Exact Mass: 544.25
• IUPAC Name: 6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine
• SMILES: Cc1cccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6nccn6cc5-c5ccccc5F)cc4)CC3)n2)n1
• InChI: InChI=1S/C32H29FN8/c1-21-5-4-8-28(35-21)31-37-30(38-39-31)24-13-16-40(17-14-24)19-22-9-11-23(12-10-22)29-26(25-6-2-3-7-27(25)33)20-41-18-15-34-32(41)36-29/h2-12,15,18,20,24H,13-14,16-17,19H2,1H3,(H,37,38,39)
• InChIKey: FUCRZGNUVYOQLJ-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 87.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.64
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?

The IUPAC name of 6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine (CID 68795214) is 6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine.

What is the SMILES notation for 6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?

The canonical SMILES for 6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine is Cc1cccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6nccn6cc5-c5ccccc5F)cc4)CC3)n2)n1.

What is the InChIKey of 6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?

The InChIKey is FUCRZGNUVYOQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN8/c1-21-5-4-8-28(35-21)31-37-30(38-39-31)24-13-16-40(17-14-24)19-22-9-11-23(12-10-22)29-26(25-6-2-3-7-27(25)33)20-41-18-15-34-32(41)36-29/h2-12,15,18,20,24H,13-14,16-17,19H2,1H3,(H,37,38,39).

What are the key properties of 6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?

6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 544.64 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-fluorophenyl)-7-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 68795214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).