(4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide

C24H19F3N4O3 — CID 118857370

About (4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide

(4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide (PubChem CID 118857370) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is (4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: (4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide
• PubChem CID: 118857370
• Molecular Formula: C24H19F3N4O3
• Molecular Weight: 468.44 g/mol
• Exact Mass: 468.14
• IUPAC Name: (4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide
• SMILES: CNC(=O)N1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)[C@H]1c1ccc(C#N)cc1C
• InChI: InChI=1S/C24H19F3N4O3/c1-13-10-14(12-28)6-7-17(13)21-20-18(8-9-19(20)32)30(23(34)31(21)22(33)29-2)16-5-3-4-15(11-16)24(25,26)27/h3-7,10-11,21H,8-9H2,1-2H3,(H,29,33)/t21-/m1/s1
• InChIKey: VUHIRRVYEGPCRJ-OAQYLSRUSA-N
• XLogP: 4.83
• TPSA: 93.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.44
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide?

The IUPAC name of (4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide (CID 118857370) is (4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide.

What is the SMILES notation for (4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide?

The canonical SMILES for (4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide is CNC(=O)N1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)[C@H]1c1ccc(C#N)cc1C.

What is the InChIKey of (4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide?

The InChIKey is VUHIRRVYEGPCRJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c1-13-10-14(12-28)6-7-17(13)21-20-18(8-9-19(20)32)30(23(34)31(21)22(33)29-2)16-5-3-4-15(11-16)24(25,26)27/h3-7,10-11,21H,8-9H2,1-2H3,(H,29,33)/t21-/m1/s1.

What are the key properties of (4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide?

(4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(4-cyano-2-methylphenyl)-N-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-cyclopenta[d]pyrimidine-3-carboxamide is sourced from PubChem (CID 118857370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).