5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane

C27H37N5O3 — CID 177138171

IUPAC5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane
SMILESCC.COc1nc2c(C3CCCCC3)nc(C3CCOC(c4ccc(=O)n(C)c4)C3)nc2nc1C
InChIInChI=1S/C25H31N5O3.C2H6/c1-15-25(32-3)28-22-21(16-7-5-4-6-8-16)27-23(29-24(22)26-15)17-11-12-33-19(13-17)18-9-10-20(31)30(2)14-18;1-2/h9-10,14,16-17,19H,4-8,11-13H2,1-3H3;1-2H3
InChIKeyZJXLIVHTHLZYHR-UHFFFAOYSA-N
MW479.63 g/mol
LogP5.14
Rot. Bonds4

About 5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane

5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane (PubChem CID 177138171) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is 5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane.

Molecular Properties

Compound Name5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane
PubChem CID177138171
Molecular FormulaC27H37N5O3
Molecular Weight479.63 g/mol
Exact Mass479.29
IUPAC Name5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane
SMILESCC.COc1nc2c(C3CCCCC3)nc(C3CCOC(c4ccc(=O)n(C)c4)C3)nc2nc1C
InChIInChI=1S/C25H31N5O3.C2H6/c1-15-25(32-3)28-22-21(16-7-5-4-6-8-16)27-23(29-24(22)26-15)17-11-12-33-19(13-17)18-9-10-20(31)30(2)14-18;1-2/h9-10,14,16-17,19H,4-8,11-13H2,1-3H3;1-2H3
InChIKeyZJXLIVHTHLZYHR-UHFFFAOYSA-N
XLogP5.14
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane with MolForge

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Related Compounds

5-[(2R,4S)-4-[4-(4-fluorocyclohexyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one
CID 177138004
5-[4-[4-(4-chlorobut-1-en-2-yl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one
CID 177138258
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-[(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
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine
CID 166123010
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
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridine
CID 166123326
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
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
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,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
2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine
CID 166123288

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane?
The IUPAC name of 5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane (CID 177138171) is 5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane.
What is the SMILES notation for 5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane?
The canonical SMILES for 5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane is CC.COc1nc2c(C3CCCCC3)nc(C3CCOC(c4ccc(=O)n(C)c4)C3)nc2nc1C.
What is the InChIKey of 5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane?
The InChIKey is ZJXLIVHTHLZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3.C2H6/c1-15-25(32-3)28-22-21(16-7-5-4-6-8-16)27-23(29-24(22)26-15)17-11-12-33-19(13-17)18-9-10-20(31)30(2)14-18;1-2/h9-10,14,16-17,19H,4-8,11-13H2,1-3H3;1-2H3.
What are the key properties of 5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane?
5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane has a molecular weight of 479.63 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane is sourced from PubChem (CID 177138171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).