4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one

C25H22ClF2N5O3 — CID 177234037

IUPAC4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one
SMILESCc1nc2nc([C@H]3CCO[C@@H](c4ccn(C)c(=O)c4)C3)c(=O)n(-c3c(F)cc(Cl)cc3F)c2nc1C
InChIInChI=1S/C25H22ClF2N5O3/c1-12-13(2)30-24-23(29-12)31-21(25(35)33(24)22-17(27)10-16(26)11-18(22)28)15-5-7-36-19(8-15)14-4-6-32(3)20(34)9-14/h4,6,9-11,15,19H,5,7-8H2,1-3H3/t15-,19+/m0/s1
InChIKeyZPLPMTSTTUFNOR-HNAYVOBHSA-N
MW513.93 g/mol
LogP4.06
Rot. Bonds3

About 4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one

4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one (PubChem CID 177234037) has the molecular formula C25H22ClF2N5O3 and a molecular weight of 513.93 g/mol. Its IUPAC name is 4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one
PubChem CID177234037
Molecular FormulaC25H22ClF2N5O3
Molecular Weight513.93 g/mol
Exact Mass513.14
IUPAC Name4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one
SMILESCc1nc2nc([C@H]3CCO[C@@H](c4ccn(C)c(=O)c4)C3)c(=O)n(-c3c(F)cc(Cl)cc3F)c2nc1C
InChIInChI=1S/C25H22ClF2N5O3/c1-12-13(2)30-24-23(29-12)31-21(25(35)33(24)22-17(27)10-16(26)11-18(22)28)15-5-7-36-19(8-15)14-4-6-32(3)20(34)9-14/h4,6,9-11,15,19H,5,7-8H2,1-3H3/t15-,19+/m0/s1
InChIKeyZPLPMTSTTUFNOR-HNAYVOBHSA-N
XLogP4.06
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.93
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one with MolForge

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Related Compounds

4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(1-cyclopropyl-2-oxo-4-pyridinyl)oxan-4-yl]-6,7-dimethylpyrazino[2,3-b]pyrazin-3-one
CID 177234017
4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(2-methoxy-4-pyridinyl)oxan-4-yl]-6,7-dimethylpyrazino[2,3-b]pyrazin-3-one
CID 177234053
5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one
CID 177233936
8-(4-chlorophenyl)-2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine-4,7-dione
CID 177233983
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157044971
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157044476
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157045272
8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine
CID 178069922
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine
CID 157045878
5-[(2R,4S)-4-[4-(4-fluorocyclohexyl)-6,7-dimethylpteridin-2-yl]oxan-2-yl]-1-methylpyridin-2-one
CID 177138004
7-[(2R,4S)-2-(2-cyclopropyl-4-pyridinyl)oxan-4-yl]-9-(2,4-difluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one
CID 177151978
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[3,4-b]pyrazine
CID 157044391

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one (CID 177234037) is 4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one is Cc1nc2nc([C@H]3CCO[C@@H](c4ccn(C)c(=O)c4)C3)c(=O)n(-c3c(F)cc(Cl)cc3F)c2nc1C.
What is the InChIKey of 4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one?
The InChIKey is ZPLPMTSTTUFNOR-HNAYVOBHSA-N. The full InChI is InChI=1S/C25H22ClF2N5O3/c1-12-13(2)30-24-23(29-12)31-21(25(35)33(24)22-17(27)10-16(26)11-18(22)28)15-5-7-36-19(8-15)14-4-6-32(3)20(34)9-14/h4,6,9-11,15,19H,5,7-8H2,1-3H3/t15-,19+/m0/s1.
What are the key properties of 4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one?
4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one has a molecular weight of 513.93 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,6-difluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(1-methyl-2-oxo-4-pyridinyl)oxan-4-yl]pyrazino[2,3-b]pyrazin-3-one is sourced from PubChem (CID 177234037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).