6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one

C25H19F5N6O2 — CID 137370572

About 6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one

6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one (PubChem CID 137370572) has the molecular formula C25H19F5N6O2 and a molecular weight of 530.46 g/mol. Its IUPAC name is 6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

• Compound Name: 6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one
• PubChem CID: 137370572
• Molecular Formula: C25H19F5N6O2
• Molecular Weight: 530.46 g/mol
• Exact Mass: 530.15
• IUPAC Name: 6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one
• SMILES: C[C@@H](n1ccc2nc(-c3ccccc3C(F)(F)F)cn2c1=O)C(O)(Cn1cncn1)c1ccc(F)cc1F
• InChI: InChI=1S/C25H19F5N6O2/c1-15(24(38,12-34-14-31-13-32-34)19-7-6-16(26)10-20(19)27)35-9-8-22-33-21(11-36(22)23(35)37)17-4-2-3-5-18(17)25(28,29)30/h2-11,13-15,38H,12H2,1H3/t15-,24?/m1/s1
• InChIKey: CGNRDKKBCHPJKQ-GZAIGYLVSA-N
• XLogP: 4.20
• TPSA: 90.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.46
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one?

The IUPAC name of 6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one (CID 137370572) is 6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one.

What is the SMILES notation for 6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one?

The canonical SMILES for 6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one is C[C@@H](n1ccc2nc(-c3ccccc3C(F)(F)F)cn2c1=O)C(O)(Cn1cncn1)c1ccc(F)cc1F.

What is the InChIKey of 6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one?

The InChIKey is CGNRDKKBCHPJKQ-GZAIGYLVSA-N. The full InChI is InChI=1S/C25H19F5N6O2/c1-15(24(38,12-34-14-31-13-32-34)19-7-6-16(26)10-20(19)27)35-9-8-22-33-21(11-36(22)23(35)37)17-4-2-3-5-18(17)25(28,29)30/h2-11,13-15,38H,12H2,1H3/t15-,24?/m1/s1.

What are the key properties of 6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one?

6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 530.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 137370572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).