5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one

C23H24F3N5O2 — CID 177137975

IUPAC5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one
SMILESC=C(CCC(F)(F)F)c1nc(C2CCOC(c3ccc(=O)[nH]c3)C2)nc2nc(C)c(C)nc12
InChIInChI=1S/C23H24F3N5O2/c1-12(6-8-23(24,25)26)19-20-22(29-14(3)13(2)28-20)31-21(30-19)15-7-9-33-17(10-15)16-4-5-18(32)27-11-16/h4-5,11,15,17H,1,6-10H2,2-3H3,(H,27,32)
InChIKeyGPJFWZIVEWTWIL-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.72
Rot. Bonds5

About 5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one

5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one (PubChem CID 177137975) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is 5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one
PubChem CID177137975
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC Name5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one
SMILESC=C(CCC(F)(F)F)c1nc(C2CCOC(c3ccc(=O)[nH]c3)C2)nc2nc(C)c(C)nc12
InChIInChI=1S/C23H24F3N5O2/c1-12(6-8-23(24,25)26)19-20-22(29-14(3)13(2)28-20)31-21(30-19)15-7-9-33-17(10-15)16-4-5-18(32)27-11-16/h4-5,11,15,17H,1,6-10H2,2-3H3,(H,27,32)
InChIKeyGPJFWZIVEWTWIL-UHFFFAOYSA-N
XLogP4.72
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

5-[4-[4-(4-chlorobut-1-en-2-yl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one
CID 177138258
5-[(2R,4S)-4-[6-methoxy-7-methyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one
CID 177138406
5-[(2R,4S)-4-[4-(4-fluorocyclohexyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one
CID 177138004
5-[(2R,4S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]oxan-2-yl]-1-propan-2-ylpyridin-2-one
CID 177138262
1-cyclobutyl-5-[(2R,4S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]oxan-2-yl]pyridin-2-one
CID 177138228
1-(2,2-difluoroethylamino)-5-[(2R,4S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]oxan-2-yl]pyridin-2-one
CID 177138395
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine
CID 157045282
7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine
CID 167284101
5-[(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]oxan-2-yl]-1-(1,3-thiazol-4-yl)pyridin-2-one
CID 177138309
5-[4-[6,7-dimethyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.0]pentanyl]pteridin-2-yl]oxan-2-yl]-1-(oxetan-3-yl)pyridin-2-one
CID 177138269
5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one
CID 177138559
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157045272

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one (CID 177137975) is 5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one is C=C(CCC(F)(F)F)c1nc(C2CCOC(c3ccc(=O)[nH]c3)C2)nc2nc(C)c(C)nc12.
What is the InChIKey of 5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one?
The InChIKey is GPJFWZIVEWTWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-12(6-8-23(24,25)26)19-20-22(29-14(3)13(2)28-20)31-21(30-19)15-7-9-33-17(10-15)16-4-5-18(32)27-11-16/h4-5,11,15,17H,1,6-10H2,2-3H3,(H,27,32).
What are the key properties of 5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one?
5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one has a molecular weight of 459.47 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6,7-dimethyl-4-(5,5,5-trifluoropent-1-en-2-yl)pteridin-2-yl]oxan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 177137975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).