5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one

C25H23F2N5O2 — CID 166123145

IUPAC5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one
SMILESCc1nc2nc([C@H]3CCO[C@@H](c4ccc(=O)n(C)c4)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C25H23F2N5O2/c1-13-14(2)29-25-23(28-13)22(18-6-5-17(26)11-19(18)27)30-24(31-25)15-8-9-34-20(10-15)16-4-7-21(33)32(3)12-16/h4-7,11-12,15,20H,8-10H2,1-3H3/t15-,20+/m0/s1
InChIKeyOUIMXJBBKFJEDC-MGPUTAFESA-N
MW463.49 g/mol
LogP4.32
Rot. Bonds3

About 5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one

5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one (PubChem CID 166123145) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one
PubChem CID166123145
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC Name5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one
SMILESCc1nc2nc([C@H]3CCO[C@@H](c4ccc(=O)n(C)c4)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C25H23F2N5O2/c1-13-14(2)29-25-23(28-13)22(18-6-5-17(26)11-19(18)27)30-24(31-25)15-8-9-34-20(10-15)16-4-7-21(33)32(3)12-16/h4-7,11-12,15,20H,8-10H2,1-3H3/t15-,20+/m0/s1
InChIKeyOUIMXJBBKFJEDC-MGPUTAFESA-N
XLogP4.32
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one (CID 166123145) is 5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one is Cc1nc2nc([C@H]3CCO[C@@H](c4ccc(=O)n(C)c4)C3)nc(-c3ccc(F)cc3F)c2nc1C.
What is the InChIKey of 5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one?
The InChIKey is OUIMXJBBKFJEDC-MGPUTAFESA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-13-14(2)29-25-23(28-13)22(18-6-5-17(26)11-19(18)27)30-24(31-25)15-8-9-34-20(10-15)16-4-7-21(33)32(3)12-16/h4-7,11-12,15,20H,8-10H2,1-3H3/t15-,20+/m0/s1.
What are the key properties of 5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one?
5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one has a molecular weight of 463.49 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 166123145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).