3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole

C22H19F3N10O — CID 139344598

About 3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole

3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole (PubChem CID 139344598) has the molecular formula C22H19F3N10O and a molecular weight of 496.46 g/mol. Its IUPAC name is 3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole.

Molecular Properties

• Compound Name: 3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole
• PubChem CID: 139344598
• Molecular Formula: C22H19F3N10O
• Molecular Weight: 496.46 g/mol
• Exact Mass: 496.17
• IUPAC Name: 3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole
• SMILES: FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(Cc5cnon5)C(c5cn[nH]c5)C4)n3)n2c1
• InChI: InChI=1S/C22H19F3N10O/c23-22(24,25)15-1-2-19-27-10-17(35(19)11-15)21-26-4-3-20(31-21)34-6-5-33(12-16-9-30-36-32-16)18(13-34)14-7-28-29-8-14/h1-4,7-11,18H,5-6,12-13H2,(H,28,29)
• InChIKey: RLTKLOPRGUVEGN-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 117.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.46
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole?

The IUPAC name of 3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole (CID 139344598) is 3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole.

What is the SMILES notation for 3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole?

The canonical SMILES for 3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole is FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(Cc5cnon5)C(c5cn[nH]c5)C4)n3)n2c1.

What is the InChIKey of 3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole?

The InChIKey is RLTKLOPRGUVEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N10O/c23-22(24,25)15-1-2-19-27-10-17(35(19)11-15)21-26-4-3-20(31-21)34-6-5-33(12-16-9-30-36-32-16)18(13-34)14-7-28-29-8-14/h1-4,7-11,18H,5-6,12-13H2,(H,28,29).

What are the key properties of 3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole?

3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole has a molecular weight of 496.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole is sourced from PubChem (CID 139344598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).