5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one

C25H24F3N5O2 — CID 177138458

IUPAC5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one
SMILESCc1nc2nc([C@H]3C[C@@H](C)O[C@@H](c4ccc(=O)n(C)c4)C3)nc(C3=C=C(C(F)(F)F)C3)c2nc1C
InChIInChI=1S/C25H24F3N5O2/c1-12-7-17(10-19(35-12)15-5-6-20(34)33(4)11-15)23-31-21(16-8-18(9-16)25(26,27)28)22-24(32-23)30-14(3)13(2)29-22/h5-6,11-12,17,19H,7-8,10H2,1-4H3/t12-,17+,19-/m1/s1
InChIKeyYIHDEHAWVFAONS-JLBUNGTFSA-N
MW483.49 g/mol
LogP4.63
Rot. Bonds3

About 5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one

5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one (PubChem CID 177138458) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is 5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one
PubChem CID177138458
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC Name5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one
SMILESCc1nc2nc([C@H]3C[C@@H](C)O[C@@H](c4ccc(=O)n(C)c4)C3)nc(C3=C=C(C(F)(F)F)C3)c2nc1C
InChIInChI=1S/C25H24F3N5O2/c1-12-7-17(10-19(35-12)15-5-6-20(34)33(4)11-15)23-31-21(16-8-18(9-16)25(26,27)28)22-24(32-23)30-14(3)13(2)29-22/h5-6,11-12,17,19H,7-8,10H2,1-4H3/t12-,17+,19-/m1/s1
InChIKeyYIHDEHAWVFAONS-JLBUNGTFSA-N
XLogP4.63
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one with MolForge

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Related Compounds

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-[(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-[4-[6,7-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pteridin-2-yl]-6-methylmorpholin-2-yl]-1-methylpyridin-2-one
CID 177138003
2-[(2R,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-6,7-dimethyl-4-(2,4,5-trifluorophenyl)pteridine
CID 166122734
5-[4-[4-(4-chlorobut-1-en-2-yl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one
CID 177138258
2-[(2R,4S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridine
CID 166122466
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
5-[(2R)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]-1-methylpyridin-2-one
CID 177138493
5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane
CID 177138171
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
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine
CID 174195438

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one (CID 177138458) is 5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one is Cc1nc2nc([C@H]3C[C@@H](C)O[C@@H](c4ccc(=O)n(C)c4)C3)nc(C3=C=C(C(F)(F)F)C3)c2nc1C.
What is the InChIKey of 5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one?
The InChIKey is YIHDEHAWVFAONS-JLBUNGTFSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-12-7-17(10-19(35-12)15-5-6-20(34)33(4)11-15)23-31-21(16-8-18(9-16)25(26,27)28)22-24(32-23)30-14(3)13(2)29-22/h5-6,11-12,17,19H,7-8,10H2,1-4H3/t12-,17+,19-/m1/s1.
What are the key properties of 5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one?
5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one has a molecular weight of 483.49 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S,6R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]-6-methyloxan-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 177138458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).