6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one

C25H24FN5O2 — CID 45268626

IUPAC6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cccnc1
InChIInChI=1S/C25H24FN5O2/c26-20-5-3-19(4-6-20)21-7-8-22-24(30-21)31(16-18-2-1-11-27-14-18)25(32)23(29-22)28-15-17-9-12-33-13-10-17/h1-8,11,14,17H,9-10,12-13,15-16H2,(H,28,29)
InChIKeyPYJDJIBVZMGRGU-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.88
Rot. Bonds6

About 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one

6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45268626) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID45268626
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cccnc1
InChIInChI=1S/C25H24FN5O2/c26-20-5-3-19(4-6-20)21-7-8-22-24(30-21)31(16-18-2-1-11-27-14-18)25(32)23(29-22)28-15-17-9-12-33-13-10-17/h1-8,11,14,17H,9-10,12-13,15-16H2,(H,28,29)
InChIKeyPYJDJIBVZMGRGU-UHFFFAOYSA-N
XLogP3.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one with MolForge

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Related Compounds

Las-101057
CID 16071896
Gnf6231
CID 46927297
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-3-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884041
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 11004075
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11387595
N-[6-(2-fluorophenyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16071901
4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45267764
4-(cyclohexylmethyl)-6-(pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272888
4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45273827
n-[6-(2-Fluorophenyl)-5-(3-fluoropyridin-4-yl)pyrazin-2-yl]cyclopropane-carboxamide
CID 53324032
N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)-tetrahydro-2H-pyran-4-carboxamide
CID 44408641
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11812296

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one (CID 45268626) is 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one is O=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cccnc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is PYJDJIBVZMGRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c26-20-5-3-19(4-6-20)21-7-8-22-24(30-21)31(16-18-2-1-11-27-14-18)25(32)23(29-22)28-15-17-9-12-33-13-10-17/h1-8,11,14,17H,9-10,12-13,15-16H2,(H,28,29).
What are the key properties of 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 445.50 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45268626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).