3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one

C28H31F3N4O4 — CID 178098302

About 3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one

3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 178098302) has the molecular formula C28H31F3N4O4 and a molecular weight of 544.57 g/mol. Its IUPAC name is 3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
• PubChem CID: 178098302
• Molecular Formula: C28H31F3N4O4
• Molecular Weight: 544.57 g/mol
• Exact Mass: 544.23
• IUPAC Name: 3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
• SMILES: Cc1nc2nc(C(F)(F)F)c(C(C)Oc3ccc(C(=O)N4CC(C)C(O)C(C)C4)cc3)cc2c(=O)n1C1CC1
• InChI: InChI=1S/C28H31F3N4O4/c1-14-12-34(13-15(2)23(14)36)26(37)18-5-9-20(10-6-18)39-16(3)21-11-22-25(33-24(21)28(29,30)31)32-17(4)35(27(22)38)19-7-8-19/h5-6,9-11,14-16,19,23,36H,7-8,12-13H2,1-4H3
• InChIKey: HDIJGEXCQKCPQK-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 97.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.57
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?

The IUPAC name of 3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one (CID 178098302) is 3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?

The canonical SMILES for 3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one is Cc1nc2nc(C(F)(F)F)c(C(C)Oc3ccc(C(=O)N4CC(C)C(O)C(C)C4)cc3)cc2c(=O)n1C1CC1.

What is the InChIKey of 3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?

The InChIKey is HDIJGEXCQKCPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N4O4/c1-14-12-34(13-15(2)23(14)36)26(37)18-5-9-20(10-6-18)39-16(3)21-11-22-25(33-24(21)28(29,30)31)32-17(4)35(27(22)38)19-7-8-19/h5-6,9-11,14-16,19,23,36H,7-8,12-13H2,1-4H3.

What are the key properties of 3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?

3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 544.57 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-6-[1-[4-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 178098302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).