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

C25H23ClFN5O3 — CID 177234053

IUPAC4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(2-methoxy-4-pyridinyl)oxan-4-yl]-6,7-dimethylpyrazino[2,3-b]pyrazin-3-one
SMILESCOc1cc([C@H]2C[C@@H](c3nc4nc(C)c(C)nc4n(-c4ccc(Cl)cc4F)c3=O)CCO2)ccn1
InChIInChI=1S/C25H23ClFN5O3/c1-13-14(2)30-24-23(29-13)31-22(25(33)32(24)19-5-4-17(26)12-18(19)27)16-7-9-35-20(10-16)15-6-8-28-21(11-15)34-3/h4-6,8,11-12,16,20H,7,9-10H2,1-3H3/t16-,20+/m0/s1
InChIKeyCRCKSTAVLJIIHC-OXJNMPFZSA-N
MW495.94 g/mol
LogP4.62
Rot. Bonds4

About 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

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 (PubChem CID 177234053) has the molecular formula C25H23ClFN5O3 and a molecular weight of 495.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(2-methoxy-4-pyridinyl)oxan-4-yl]-6,7-dimethylpyrazino[2,3-b]pyrazin-3-one
PubChem CID177234053
Molecular FormulaC25H23ClFN5O3
Molecular Weight495.94 g/mol
Exact Mass495.15
IUPAC Name4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(2-methoxy-4-pyridinyl)oxan-4-yl]-6,7-dimethylpyrazino[2,3-b]pyrazin-3-one
SMILESCOc1cc([C@H]2C[C@@H](c3nc4nc(C)c(C)nc4n(-c4ccc(Cl)cc4F)c3=O)CCO2)ccn1
InChIInChI=1S/C25H23ClFN5O3/c1-13-14(2)30-24-23(29-13)31-22(25(33)32(24)19-5-4-17(26)12-18(19)27)16-7-9-35-20(10-16)15-6-8-28-21(11-15)34-3/h4-6,8,11-12,16,20H,7,9-10H2,1-3H3/t16-,20+/m0/s1
InChIKeyCRCKSTAVLJIIHC-OXJNMPFZSA-N
XLogP4.62
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.94
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 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-2,6-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
5-(4-chloro-2-fluorophenyl)-7-[(2R,4S)-2-(2-methoxy-4-pyridinyl)oxan-4-yl]-2-methyl-3H-pyrido[4,3-d]pyrimidin-4-one
CID 176767364
10-(2,4-difluorophenyl)-12-[(2R,4S)-2-(2-methoxy-4-pyridinyl)oxan-4-yl]-1,8,11-triazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 177152073
8-(2,4-difluorophenyl)-6-[(2S,4S)-2-(2-methoxy-4-pyridinyl)oxan-4-yl]-3-methyl-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one
CID 177168735
8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
CID 172611966
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
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
6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one
CID 177151460
4-(4-chloro-2-fluorophenyl)-2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6-methoxy-7-methylpteridine
CID 166122783
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc([C@H]2C[C@@H](c3nc4nc(C)c(C)nc4n(-c4ccc(Cl)cc4F)c3=O)CCO2)ccn1.
What is the InChIKey of 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?
The InChIKey is CRCKSTAVLJIIHC-OXJNMPFZSA-N. The full InChI is InChI=1S/C25H23ClFN5O3/c1-13-14(2)30-24-23(29-13)31-22(25(33)32(24)19-5-4-17(26)12-18(19)27)16-7-9-35-20(10-16)15-6-8-28-21(11-15)34-3/h4-6,8,11-12,16,20H,7,9-10H2,1-3H3/t16-,20+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 495.94 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177234053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).