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

C23H21F4N5O4 — CID 178097806

About 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

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 (PubChem CID 178097806) has the molecular formula C23H21F4N5O4 and a molecular weight of 507.44 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 178097806
• Molecular Formula: C23H21F4N5O4
• Molecular Weight: 507.44 g/mol
• Exact Mass: 507.15
• IUPAC Name: 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
• SMILES: C=C1CN(C(=O)c2cnc(O[C@@H](C)c3cc4c(=O)[nH]c(C)nc4nc3C(F)(F)F)c(F)c2)C[C@H](C)O1
• InChI: InChI=1S/C23H21F4N5O4/c1-10-8-32(9-11(2)35-10)22(34)14-5-17(24)21(28-7-14)36-12(3)15-6-16-19(29-13(4)30-20(16)33)31-18(15)23(25,26)27/h5-7,11-12H,1,8-9H2,2-4H3,(H,29,30,31,33)/t11-,12-/m0/s1
• InChIKey: OARVKVRICDIMAJ-RYUDHWBXSA-N
• XLogP: 3.69
• TPSA: 110.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.44
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=C1CN(C(=O)c2cnc(O[C@@H](C)c3cc4c(=O)[nH]c(C)nc4nc3C(F)(F)F)c(F)c2)C[C@H](C)O1.

What is the InChIKey of 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?

The InChIKey is OARVKVRICDIMAJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C23H21F4N5O4/c1-10-8-32(9-11(2)35-10)22(34)14-5-17(24)21(28-7-14)36-12(3)15-6-16-19(29-13(4)30-20(16)33)31-18(15)23(25,26)27/h5-7,11-12H,1,8-9H2,2-4H3,(H,29,30,31,33)/t11-,12-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 507.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 178097806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).