5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole

C25H28FN5O — CID 157045738

IUPAC5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole
SMILESCc1ccc(-c2nc(C3CCOCC3)cc3nc(C)c(C)nc23)c(F)c1.Cn1cccn1
InChIInChI=1S/C21H22FN3O.C4H6N2/c1-12-4-5-16(17(22)10-12)20-21-19(23-13(2)14(3)24-21)11-18(25-20)15-6-8-26-9-7-15;1-6-4-2-3-5-6/h4-5,10-11,15H,6-9H2,1-3H3;2-4H,1H3
InChIKeyKKPUSDFQGUTKGS-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.07
Rot. Bonds2

About 5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole

5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole (PubChem CID 157045738) has the molecular formula C25H28FN5O and a molecular weight of 433.53 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole.

Molecular Properties

Compound Name5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole
PubChem CID157045738
Molecular FormulaC25H28FN5O
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC Name5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole
SMILESCc1ccc(-c2nc(C3CCOCC3)cc3nc(C)c(C)nc23)c(F)c1.Cn1cccn1
InChIInChI=1S/C21H22FN3O.C4H6N2/c1-12-4-5-16(17(22)10-12)20-21-19(23-13(2)14(3)24-21)11-18(25-20)15-6-8-26-9-7-15;1-6-4-2-3-5-6/h4-5,10-11,15H,6-9H2,1-3H3;2-4H,1H3
InChIKeyKKPUSDFQGUTKGS-UHFFFAOYSA-N
XLogP5.07
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine
CID 157045169
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
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-methylpyrazole;oxane
CID 157044828
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole
CID 166122881
5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane
CID 157045039
7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine
CID 157045257
1-(1-bicyclo[1.1.1]pentanyl)pyrazole;4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166123038
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
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
(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
4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine
CID 178120692
8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane
CID 157044450

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole?
The IUPAC name of 5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole (CID 157045738) is 5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole.
What is the SMILES notation for 5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole?
The canonical SMILES for 5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole is Cc1ccc(-c2nc(C3CCOCC3)cc3nc(C)c(C)nc23)c(F)c1.Cn1cccn1.
What is the InChIKey of 5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole?
The InChIKey is KKPUSDFQGUTKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O.C4H6N2/c1-12-4-5-16(17(22)10-12)20-21-19(23-13(2)14(3)24-21)11-18(25-20)15-6-8-26-9-7-15;1-6-4-2-3-5-6/h4-5,10-11,15H,6-9H2,1-3H3;2-4H,1H3.
What are the key properties of 5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole?
5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole has a molecular weight of 433.53 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole is sourced from PubChem (CID 157045738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).