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

C23H19F3N10O2 — CID 139344721

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

(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 139344721) has the molecular formula C23H19F3N10O2 and a molecular weight of 524.47 g/mol. Its IUPAC name is (4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
• PubChem CID: 139344721
• Molecular Formula: C23H19F3N10O2
• Molecular Weight: 524.47 g/mol
• Exact Mass: 524.16
• IUPAC Name: (4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
• SMILES: Cc1nonc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
• InChI: InChI=1S/C23H19F3N10O2/c1-13-20(33-38-32-13)22(37)35-7-6-34(12-17(35)14-8-29-30-9-14)19-4-5-27-21(31-19)16-10-28-18-3-2-15(11-36(16)18)23(24,25)26/h2-5,8-11,17H,6-7,12H2,1H3,(H,29,30)
• InChIKey: DHMDODJKNYGUNT-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 134.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.47
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of (4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 139344721) is (4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

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

The canonical SMILES for (4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1nonc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.

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

The InChIKey is DHMDODJKNYGUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N10O2/c1-13-20(33-38-32-13)22(37)35-7-6-34(12-17(35)14-8-29-30-9-14)19-4-5-27-21(31-19)16-10-28-18-3-2-15(11-36(16)18)23(24,25)26/h2-5,8-11,17H,6-7,12H2,1H3,(H,29,30).

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

(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 524.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 139344721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).