(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

C24H24F3N9O2 — CID 155922363

About (5-methyl-1,2-oxazol-4-yl)-[(2R)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 155922363) has the molecular formula C24H24F3N9O2 and a molecular weight of 527.51 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-4-yl)-[(2R)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-1,2-oxazol-4-yl)-[(2R)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
• PubChem CID: 155922363
• Molecular Formula: C24H24F3N9O2
• Molecular Weight: 527.51 g/mol
• Exact Mass: 527.20
• IUPAC Name: (5-methyl-1,2-oxazol-4-yl)-[(2R)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
• SMILES: Cc1oncc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H]1C1CNNC1
• InChI: InChI=1S/C24H24F3N9O2/c1-14-17(10-32-38-14)23(37)35-7-6-34(13-19(35)15-8-30-31-9-15)21-4-5-28-22(33-21)18-11-29-20-3-2-16(12-36(18)20)24(25,26)27/h2-5,10-12,15,19,30-31H,6-9,13H2,1H3/t19-/m0/s1
• InChIKey: XRKOHMDESXJIAO-IBGZPJMESA-N
• XLogP: 2.16
• TPSA: 116.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.51
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of (5-methyl-1,2-oxazol-4-yl)-[(2R)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 155922363) is (5-methyl-1,2-oxazol-4-yl)-[(2R)-2-pyrazolidin-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 (5-methyl-1,2-oxazol-4-yl)-[(2R)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?

The canonical SMILES for (5-methyl-1,2-oxazol-4-yl)-[(2R)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1oncc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H]1C1CNNC1.

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

The InChIKey is XRKOHMDESXJIAO-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24F3N9O2/c1-14-17(10-32-38-14)23(37)35-7-6-34(13-19(35)15-8-30-31-9-15)21-4-5-28-22(33-21)18-11-29-20-3-2-16(12-36(18)20)24(25,26)27/h2-5,10-12,15,19,30-31H,6-9,13H2,1H3/t19-/m0/s1.

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

(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-pyrazolidin-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 527.51 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-1,2-oxazol-4-yl)-[(2R)-2-pyrazolidin-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 155922363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).