6-(4-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 86703054

About 6-(4-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-(4-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 86703054) has the molecular formula C32H29FN8 and a molecular weight of 544.64 g/mol. Its IUPAC name is 6-(4-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-(4-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: 86703054
• Molecular Formula: C32H29FN8
• Molecular Weight: 544.64 g/mol
• Exact Mass: 544.25
• IUPAC Name: 6-(4-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-c5ccc(F)cc5)cc4)CC3)n2)n1
• InChI: InChI=1S/C32H29FN8/c1-21-3-2-4-28(35-21)31-37-30(38-39-31)25-13-16-40(17-14-25)19-22-5-7-24(8-6-22)29-27(23-9-11-26(33)12-10-23)20-41-18-15-34-32(41)36-29/h2-12,15,18,20,25H,13-14,16-17,19H2,1H3,(H,37,38,39)
• InChIKey: JBYACRACFHYNTB-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-(4-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-(4-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 86703054) is 6-(4-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-(4-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-(4-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-c5ccc(F)cc5)cc4)CC3)n2)n1.

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

What are the key properties of 6-(4-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-(4-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-(4-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 86703054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).