5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one

C25H21ClFN5O2 — CID 177138372

IUPAC5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one
SMILESCc1nc2nc(C3=CC(c4ccc(=O)n(C)c4)OCC3)nc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=1S/C25H21ClFN5O2/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/h4-7,10-12,20H,8-9H2,1-3H3
InChIKeyAKESZVZJZMMELX-UHFFFAOYSA-N
MW477.93 g/mol
LogP4.74
Rot. Bonds3

About 5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one

5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one (PubChem CID 177138372) has the molecular formula C25H21ClFN5O2 and a molecular weight of 477.93 g/mol. Its IUPAC name is 5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one
PubChem CID177138372
Molecular FormulaC25H21ClFN5O2
Molecular Weight477.93 g/mol
Exact Mass477.14
IUPAC Name5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one
SMILESCc1nc2nc(C3=CC(c4ccc(=O)n(C)c4)OCC3)nc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=1S/C25H21ClFN5O2/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/h4-7,10-12,20H,8-9H2,1-3H3
InChIKeyAKESZVZJZMMELX-UHFFFAOYSA-N
XLogP4.74
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.93
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157044971
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol
CID 166122294
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-[3-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-5-fluorophenyl]-N,N-dimethylazetidin-3-amine
CID 178120713
4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
CID 166122261
4-(4-chloro-2-fluorophenyl)-2-[2-(1-cyclopropylpyrazol-4-yl)-4-methoxyoxan-4-yl]-6,7-dimethylpteridine
CID 166123216
4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)-4-methoxyoxan-4-yl]-6,7-dimethylpteridine
CID 166121377
8-(4-chloro-2-fluorophenyl)-6-[6-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 178069913
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157045272
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157044476
5-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-1-(1-cyclopropylpyrazol-4-yl)piperidin-2-one
CID 166122199
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine
CID 166122956

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one (CID 177138372) is 5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one is Cc1nc2nc(C3=CC(c4ccc(=O)n(C)c4)OCC3)nc(-c3ccc(Cl)cc3F)c2nc1C.
What is the InChIKey of 5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one?
The InChIKey is AKESZVZJZMMELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN5O2/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/h4-7,10-12,20H,8-9H2,1-3H3.
What are the key properties of 5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one?
5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one has a molecular weight of 477.93 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 177138372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).