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

C26H26FN5O — CID 45268639

IUPAC4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCc2cccnc2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C26H26FN5O/c27-21-10-8-20(9-11-21)22-12-13-23-25(31-22)32(17-18-5-2-1-3-6-18)26(33)24(30-23)29-16-19-7-4-14-28-15-19/h4,7-15,18H,1-3,5-6,16-17H2,(H,29,30)
InChIKeyTYOHABJIXOLDDV-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.18
Rot. Bonds6

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

4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45268639) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
PubChem CID45268639
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCc2cccnc2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C26H26FN5O/c27-21-10-8-20(9-11-21)22-12-13-23-25(31-22)32(17-18-5-2-1-3-6-18)26(33)24(30-23)29-16-19-7-4-14-28-15-19/h4,7-15,18H,1-3,5-6,16-17H2,(H,29,30)
InChIKeyTYOHABJIXOLDDV-UHFFFAOYSA-N
XLogP5.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Las-101057
CID 16071896
2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 447221
Gnf6231
CID 46927297
1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]urea
CID 10281725
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
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-(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-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrido[2,3-b]pyrazin-3-one (CID 45268639) is 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrido[2,3-b]pyrazin-3-one is O=c1c(NCc2cccnc2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is TYOHABJIXOLDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c27-21-10-8-20(9-11-21)22-12-13-23-25(31-22)32(17-18-5-2-1-3-6-18)26(33)24(30-23)29-16-19-7-4-14-28-15-19/h4,7-15,18H,1-3,5-6,16-17H2,(H,29,30).
What are the key properties of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 443.53 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45268639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).