2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C28H27F4N7O — CID 168841767

About 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 168841767) has the molecular formula C28H27F4N7O and a molecular weight of 553.56 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
• PubChem CID: 168841767
• Molecular Formula: C28H27F4N7O
• Molecular Weight: 553.56 g/mol
• Exact Mass: 553.22
• IUPAC Name: 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
• SMILES: CCc1ncnc(C2CC2)c1-c1cc2n(n1)CCC(=O)N2Cc1ccc(-c2nc(C(F)(F)F)cn2CC)c(F)c1
• InChI: InChI=1S/C28H27F4N7O/c1-3-20-25(26(17-6-7-17)34-15-33-20)21-12-23-38(24(40)9-10-39(23)36-21)13-16-5-8-18(19(29)11-16)27-35-22(28(30,31)32)14-37(27)4-2/h5,8,11-12,14-15,17H,3-4,6-7,9-10,13H2,1-2H3
• InChIKey: MKEYIMKOQIUPHZ-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 81.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.56
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?

The IUPAC name of 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 168841767) is 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

What is the SMILES notation for 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?

The canonical SMILES for 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is CCc1ncnc(C2CC2)c1-c1cc2n(n1)CCC(=O)N2Cc1ccc(-c2nc(C(F)(F)F)cn2CC)c(F)c1.

What is the InChIKey of 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?

The InChIKey is MKEYIMKOQIUPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F4N7O/c1-3-20-25(26(17-6-7-17)34-15-33-20)21-12-23-38(24(40)9-10-39(23)36-21)13-16-5-8-18(19(29)11-16)27-35-22(28(30,31)32)14-37(27)4-2/h5,8,11-12,14-15,17H,3-4,6-7,9-10,13H2,1-2H3.

What are the key properties of 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?

2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 553.56 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 168841767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).