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

C24H25F3N4O4 — CID 178098433

IUPAC6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2nc(C(F)(F)F)c(C(C)Oc3ccc(C(=O)N4CC(C)OC(C)C4)cc3)cc2c(=O)[nH]1
InChIInChI=1S/C24H25F3N4O4/c1-12-10-31(11-13(2)34-12)23(33)16-5-7-17(8-6-16)35-14(3)18-9-19-21(28-15(4)29-22(19)32)30-20(18)24(25,26)27/h5-9,12-14H,10-11H2,1-4H3,(H,28,29,30,32)
InChIKeyZIBSIKPLISUQOJ-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.03
Rot. Bonds4

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

6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 178098433) has the molecular formula C24H25F3N4O4 and a molecular weight of 490.48 g/mol. Its IUPAC name is 6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID178098433
Molecular FormulaC24H25F3N4O4
Molecular Weight490.48 g/mol
Exact Mass490.18
IUPAC Name6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2nc(C(F)(F)F)c(C(C)Oc3ccc(C(=O)N4CC(C)OC(C)C4)cc3)cc2c(=O)[nH]1
InChIInChI=1S/C24H25F3N4O4/c1-12-10-31(11-13(2)34-12)23(33)16-5-7-17(8-6-16)35-14(3)18-9-19-21(28-15(4)29-22(19)32)30-20(18)24(25,26)27/h5-9,12-14H,10-11H2,1-4H3,(H,28,29,30,32)
InChIKeyZIBSIKPLISUQOJ-UHFFFAOYSA-N
XLogP4.03
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-[4-(3-fluoro-4-methoxypyrrolidine-1-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 178097169
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
6-[(1R)-1-[4-[(3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 178097885
5-(2,6-dimethylmorpholine-4-carbonyl)-2-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-6-yl]ethylamino]pyridine-3-carbonitrile
CID 178097209
6-[(1S)-1-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-fluorophenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097540
6-[(1S)-1-[[3-fluoro-5-[(2S)-2-methyl-6-methylidenemorpholine-4-carbonyl]-2-pyridinyl]oxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 178097806
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
7-chloro-6-[1-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenoxy]ethyl]-2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one
CID 178098239
6-[(1R)-1-[[5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-pyridinyl]oxy]-2,2,2-trifluoroethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098299
5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-[(1S)-1-[2,3-dimethyl-4-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]ethoxy]pyridine-3-carbonitrile
CID 178097231
6-[(1S)-1-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 178097101
6-[(1R)-1-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-fluoroanilino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098050

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 178098433) is 6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[1-[4-(2,6-dimethylmorpholine-4-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)N4CC(C)OC(C)C4)cc3)cc2c(=O)[nH]1.
What is the InChIKey of 6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZIBSIKPLISUQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4/c1-12-10-31(11-13(2)34-12)23(33)16-5-7-17(8-6-16)35-14(3)18-9-19-21(28-15(4)29-22(19)32)30-20(18)24(25,26)27/h5-9,12-14H,10-11H2,1-4H3,(H,28,29,30,32).
What are the key properties of 6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 490.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)phenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 178098433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).