4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one

C21H16F2N4O — CID 71835917

IUPAC4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one
SMILESO=c1c(NCc2cc(F)ccc2F)nc2ccncc2n1Cc1ccccc1
InChIInChI=1S/C21H16F2N4O/c22-16-6-7-17(23)15(10-16)11-25-20-21(28)27(13-14-4-2-1-3-5-14)19-12-24-9-8-18(19)26-20/h1-10,12H,11,13H2,(H,25,26)
InChIKeyJGNDKORIXLEWNR-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.73
Rot. Bonds5

About 4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one

4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one (PubChem CID 71835917) has the molecular formula C21H16F2N4O and a molecular weight of 378.38 g/mol. Its IUPAC name is 4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one
PubChem CID71835917
Molecular FormulaC21H16F2N4O
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC Name4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one
SMILESO=c1c(NCc2cc(F)ccc2F)nc2ccncc2n1Cc1ccccc1
InChIInChI=1S/C21H16F2N4O/c22-16-6-7-17(23)15(10-16)11-25-20-21(28)27(13-14-4-2-1-3-5-14)19-12-24-9-8-18(19)26-20/h1-10,12H,11,13H2,(H,25,26)
InChIKeyJGNDKORIXLEWNR-UHFFFAOYSA-N
XLogP3.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one (CID 71835917) is 4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one is O=c1c(NCc2cc(F)ccc2F)nc2ccncc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one?
The InChIKey is JGNDKORIXLEWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O/c22-16-6-7-17(23)15(10-16)11-25-20-21(28)27(13-14-4-2-1-3-5-14)19-12-24-9-8-18(19)26-20/h1-10,12H,11,13H2,(H,25,26).
What are the key properties of 4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one?
4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one has a molecular weight of 378.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(2,5-difluorophenyl)methylamino]pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 71835917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).