5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine

C21H21F2N3O — CID 157045169

IUPAC5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine
SMILESCc1nc2cc([C@H]3CCO[C@@H](C)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C21H21F2N3O/c1-11-8-14(6-7-27-11)18-10-19-21(25-13(3)12(2)24-19)20(26-18)16-5-4-15(22)9-17(16)23/h4-5,9-11,14H,6-8H2,1-3H3/t11-,14-/m0/s1
InChIKeyKIGQJTFSDRFTQN-FZMZJTMJSA-N
MW369.42 g/mol
LogP4.87
Rot. Bonds2

About 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine

5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine (PubChem CID 157045169) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine
PubChem CID157045169
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine
SMILESCc1nc2cc([C@H]3CCO[C@@H](C)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C21H21F2N3O/c1-11-8-14(6-7-27-11)18-10-19-21(25-13(3)12(2)24-19)20(26-18)16-5-4-15(22)9-17(16)23/h4-5,9-11,14H,6-8H2,1-3H3/t11-,14-/m0/s1
InChIKeyKIGQJTFSDRFTQN-FZMZJTMJSA-N
XLogP4.87
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
(E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine
CID 166121782
7-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine
CID 157045817
7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine
CID 166123291
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
5-(4-chloro-2-fluorophenyl)-7-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[3,4-b]pyrazine
CID 166561383
7-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrido[3,4-b]pyrazine
CID 166122883
7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrido[3,4-b]pyrazine
CID 166122780
7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine
CID 157045292
7-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(oxetan-3-ylmethoxymethyl)pyrido[3,4-b]pyrazine
CID 166122724
5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole
CID 157045738
2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine
CID 166121771

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine?
The IUPAC name of 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine (CID 157045169) is 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine?
The canonical SMILES for 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine is Cc1nc2cc([C@H]3CCO[C@@H](C)C3)nc(-c3ccc(F)cc3F)c2nc1C.
What is the InChIKey of 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine?
The InChIKey is KIGQJTFSDRFTQN-FZMZJTMJSA-N. The full InChI is InChI=1S/C21H21F2N3O/c1-11-8-14(6-7-27-11)18-10-19-21(25-13(3)12(2)24-19)20(26-18)16-5-4-15(22)9-17(16)23/h4-5,9-11,14H,6-8H2,1-3H3/t11-,14-/m0/s1.
What are the key properties of 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine?
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine has a molecular weight of 369.42 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine is sourced from PubChem (CID 157045169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).