(5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine

C24H23F2N7O — CID 57466381

About (5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine

(5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 57466381) has the molecular formula C24H23F2N7O and a molecular weight of 463.49 g/mol. Its IUPAC name is (5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: (5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 57466381
• Molecular Formula: C24H23F2N7O
• Molecular Weight: 463.49 g/mol
• Exact Mass: 463.19
• IUPAC Name: (5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: COc1nc(/C=C/c2nc3n(n2)CC[C@@H](C)N3c2ccc(F)cc2F)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C24H23F2N7O/c1-15-13-31(14-27-15)21-8-5-18(28-23(21)34-3)6-9-22-29-24-32(30-22)11-10-16(2)33(24)20-7-4-17(25)12-19(20)26/h4-9,12-14,16H,10-11H2,1-3H3/b9-6+/t16-/m1/s1
• InChIKey: MVBFXDBPPWWBNT-YXMGTMDOSA-N
• XLogP: 4.55
• TPSA: 73.89 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.49
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?

The IUPAC name of (5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine (CID 57466381) is (5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine.

What is the SMILES notation for (5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?

The canonical SMILES for (5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine is COc1nc(/C=C/c2nc3n(n2)CC[C@@H](C)N3c2ccc(F)cc2F)ccc1-n1cnc(C)c1.

What is the InChIKey of (5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?

The InChIKey is MVBFXDBPPWWBNT-YXMGTMDOSA-N. The full InChI is InChI=1S/C24H23F2N7O/c1-15-13-31(14-27-15)21-8-5-18(28-23(21)34-3)6-9-22-29-24-32(30-22)11-10-16(2)33(24)20-7-4-17(25)12-19(20)26/h4-9,12-14,16H,10-11H2,1-3H3/b9-6+/t16-/m1/s1.

What are the key properties of (5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?

(5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 463.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-4-(2,4-difluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 57466381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).