4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one

C26H23F3N4O2 — CID 45272849

IUPAC4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cc(F)cc(F)c1
InChIInChI=1S/C26H23F3N4O2/c27-19-3-1-18(2-4-19)22-5-6-23-25(32-22)33(15-17-11-20(28)13-21(29)12-17)26(34)24(31-23)30-14-16-7-9-35-10-8-16/h1-6,11-13,16H,7-10,14-15H2,(H,30,31)
InChIKeyJTAYVRNLCIPSRV-UHFFFAOYSA-N
MW480.49 g/mol
LogP4.76
Rot. Bonds6

About 4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one

4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45272849) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
PubChem CID45272849
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Name4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cc(F)cc(F)c1
InChIInChI=1S/C26H23F3N4O2/c27-19-3-1-18(2-4-19)22-5-6-23-25(32-22)33(15-17-11-20(28)13-21(29)12-17)26(34)24(31-23)30-14-16-7-9-35-10-8-16/h1-6,11-13,16H,7-10,14-15H2,(H,30,31)
InChIKeyJTAYVRNLCIPSRV-UHFFFAOYSA-N
XLogP4.76
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one (CID 45272849) is 4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one is O=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cc(F)cc(F)c1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is JTAYVRNLCIPSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c27-19-3-1-18(2-4-19)22-5-6-23-25(32-22)33(15-17-11-20(28)13-21(29)12-17)26(34)24(31-23)30-14-16-7-9-35-10-8-16/h1-6,11-13,16H,7-10,14-15H2,(H,30,31).
What are the key properties of 4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 480.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45272849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).