5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one

C28H30N6O2 — CID 177138559

IUPAC5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one
SMILESCc1nc2nc(C3CCOC(c4ccc(=O)n(N(C)C)c4)C3)nc(C34C5C6C7C5C3C7C64)c2nc1C
InChIInChI=1S/C28H30N6O2/c1-11-12(2)30-27-24(29-11)25(28-21-18-17-19(21)23(28)20(17)22(18)28)31-26(32-27)13-7-8-36-15(9-13)14-5-6-16(35)34(10-14)33(3)4/h5-6,10,13,15,17-23H,7-9H2,1-4H3
InChIKeyVGRWYOIYRKDBTC-UHFFFAOYSA-N
MW482.59 g/mol
LogP2.65
Rot. Bonds4

About 5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one

5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one (PubChem CID 177138559) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one.

Molecular Properties

Compound Name5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one
PubChem CID177138559
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one
SMILESCc1nc2nc(C3CCOC(c4ccc(=O)n(N(C)C)c4)C3)nc(C34C5C6C7C5C3C7C64)c2nc1C
InChIInChI=1S/C28H30N6O2/c1-11-12(2)30-27-24(29-11)25(28-21-18-17-19(21)23(28)20(17)22(18)28)31-26(32-27)13-7-8-36-15(9-13)14-5-6-16(35)34(10-14)33(3)4/h5-6,10,13,15,17-23H,7-9H2,1-4H3
InChIKeyVGRWYOIYRKDBTC-UHFFFAOYSA-N
XLogP2.65
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one with MolForge

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Related Compounds

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
2-[2-[1-(dimethylamino)-6-oxo-3-pyridinyl]oxan-4-yl]-7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrimido[4,5-d]pyridazin-8-one
CID 177138284
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,4S)-4-[4-(4-fluorocyclohexyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one
CID 177138004
1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one
CID 177138214
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-[4-(4-cyclohexyl-6-methoxy-7-methylpteridin-2-yl)oxan-2-yl]-1-methylpyridin-2-one;ethane
CID 177138171
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
4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157045008
6-[2-(1-amino-6-oxo-3-pyridinyl)oxan-4-yl]-2,3-dimethyl-8-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrimido[5,4-d]pyrimidin-4-one
CID 177138539

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one?
The IUPAC name of 5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one (CID 177138559) is 5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one.
What is the SMILES notation for 5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one?
The canonical SMILES for 5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one is Cc1nc2nc(C3CCOC(c4ccc(=O)n(N(C)C)c4)C3)nc(C34C5C6C7C5C3C7C64)c2nc1C.
What is the InChIKey of 5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one?
The InChIKey is VGRWYOIYRKDBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-11-12(2)30-27-24(29-11)25(28-21-18-17-19(21)23(28)20(17)22(18)28)31-26(32-27)13-7-8-36-15(9-13)14-5-6-16(35)34(10-14)33(3)4/h5-6,10,13,15,17-23H,7-9H2,1-4H3.
What are the key properties of 5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one?
5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one has a molecular weight of 482.59 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cuban-1-yl-6,7-dimethylpteridin-2-yl)oxan-2-yl]-1-(dimethylamino)pyridin-2-one is sourced from PubChem (CID 177138559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).