6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one

C24H23F3N4O4 — CID 178098384

About 6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one

6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 178098384) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is 6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
• PubChem CID: 178098384
• Molecular Formula: C24H23F3N4O4
• Molecular Weight: 488.47 g/mol
• Exact Mass: 488.17
• IUPAC Name: 6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
• SMILES: Cc1nc2nc(C(F)(F)F)c(C(C)Oc3ccc(C(=O)N4CC5(CC(O)C5)C4)cc3)cc2c(=O)[nH]1
• InChI: InChI=1S/C24H23F3N4O4/c1-12(17-7-18-20(28-13(2)29-21(18)33)30-19(17)24(25,26)27)35-16-5-3-14(4-6-16)22(34)31-10-23(11-31)8-15(32)9-23/h3-7,12,15,32H,8-11H2,1-2H3,(H,28,29,30,33)
• InChIKey: DWAKWPOJTFBQSY-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 108.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.47
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?

The IUPAC name of 6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 178098384) is 6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1nc2nc(C(F)(F)F)c(C(C)Oc3ccc(C(=O)N4CC5(CC(O)C5)C4)cc3)cc2c(=O)[nH]1.

What is the InChIKey of 6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?

The InChIKey is DWAKWPOJTFBQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-12(17-7-18-20(28-13(2)29-21(18)33)30-19(17)24(25,26)27)35-16-5-3-14(4-6-16)22(34)31-10-23(11-31)8-15(32)9-23/h3-7,12,15,32H,8-11H2,1-2H3,(H,28,29,30,33).

What are the key properties of 6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?

6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 488.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[4-(6-hydroxy-2-azaspiro[3.3]heptane-2-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 178098384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).