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

C23H22N4O — CID 87054692

IUPAC4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)c1cccc(Nc2nc3ccncc3n(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C23H22N4O/c1-16(2)18-9-6-10-19(13-18)25-22-23(28)27(15-17-7-4-3-5-8-17)21-14-24-12-11-20(21)26-22/h3-14,16H,15H2,1-2H3,(H,25,26)
InChIKeyVHWPMGLSTCONCR-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.71
Rot. Bonds5

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

4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one (PubChem CID 87054692) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one
PubChem CID87054692
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)c1cccc(Nc2nc3ccncc3n(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C23H22N4O/c1-16(2)18-9-6-10-19(13-18)25-22-23(28)27(15-17-7-4-3-5-8-17)21-14-24-12-11-20(21)26-22/h3-14,16H,15H2,1-2H3,(H,25,26)
InChIKeyVHWPMGLSTCONCR-UHFFFAOYSA-N
XLogP4.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054681
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-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054701
1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one
CID 174769465
4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one
CID 87054677
8-(3-propan-2-ylanilino)-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-5-carboxylic acid
CID 171736732
6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
CID 170687498
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide
CID 174235367
5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
CID 170683343

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one (CID 87054692) is 4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one is CC(C)c1cccc(Nc2nc3ccncc3n(Cc3ccccc3)c2=O)c1.
What is the InChIKey of 4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one?
The InChIKey is VHWPMGLSTCONCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16(2)18-9-6-10-19(13-18)25-22-23(28)27(15-17-7-4-3-5-8-17)21-14-24-12-11-20(21)26-22/h3-14,16H,15H2,1-2H3,(H,25,26).
What are the key properties of 4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one?
4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one has a molecular weight of 370.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 87054692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).