4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one

C20H15FN4O — CID 87054701

IUPAC4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one
SMILESO=c1c(Nc2ccc(F)cc2)nc2ccncc2n1Cc1ccccc1
InChIInChI=1S/C20H15FN4O/c21-15-6-8-16(9-7-15)23-19-20(26)25(13-14-4-2-1-3-5-14)18-12-22-11-10-17(18)24-19/h1-12H,13H2,(H,23,24)
InChIKeyYBFWYERNUIVGKG-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.72
Rot. Bonds4

About 4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one

4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one (PubChem CID 87054701) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one
PubChem CID87054701
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one
SMILESO=c1c(Nc2ccc(F)cc2)nc2ccncc2n1Cc1ccccc1
InChIInChI=1S/C20H15FN4O/c21-15-6-8-16(9-7-15)23-19-20(26)25(13-14-4-2-1-3-5-14)18-12-22-11-10-17(18)24-19/h1-12H,13H2,(H,23,24)
InChIKeyYBFWYERNUIVGKG-UHFFFAOYSA-N
XLogP3.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-2-(3-chloro-4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054693
4-benzyl-2-(3-fluoro-4-methylanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054695
4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054681
4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054692
4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one
CID 87054677
1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one
CID 174769465
3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide
CID 174235367
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one
CID 134850585
1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 18334819
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one (CID 87054701) is 4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one is O=c1c(Nc2ccc(F)cc2)nc2ccncc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one?
The InChIKey is YBFWYERNUIVGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-15-6-8-16(9-7-15)23-19-20(26)25(13-14-4-2-1-3-5-14)18-12-22-11-10-17(18)24-19/h1-12H,13H2,(H,23,24).
What are the key properties of 4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one?
4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one has a molecular weight of 346.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 87054701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).