2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide

C24H20F3N5O3 — CID 24830551

IUPAC2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)nc3n(CC(N)=O)c2=O)cc1
InChIInChI=1S/C24H20F3N5O3/c1-35-17-7-5-15(6-8-17)21-23(34)32(13-19(28)33)22-18(30-21)9-10-20(31-22)29-12-14-3-2-4-16(11-14)24(25,26)27/h2-11H,12-13H2,1H3,(H2,28,33)(H,29,31)
InChIKeyZWJUHKCCGKHDJR-UHFFFAOYSA-N
MW483.45 g/mol
LogP3.58
Rot. Bonds7

About 2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide

2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide (PubChem CID 24830551) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide
PubChem CID24830551
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)nc3n(CC(N)=O)c2=O)cc1
InChIInChI=1S/C24H20F3N5O3/c1-35-17-7-5-15(6-8-17)21-23(34)32(13-19(28)33)22-18(30-21)9-10-20(31-22)29-12-14-3-2-4-16(11-14)24(25,26)27/h2-11H,12-13H2,1H3,(H2,28,33)(H,29,31)
InChIKeyZWJUHKCCGKHDJR-UHFFFAOYSA-N
XLogP3.58
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
CID 24830388
6-[(3,4-dichlorophenyl)methylamino]-4-[2-(ethenylamino)ethyl]-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
CID 89143240
3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42660586
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 4027590
N-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
CID 24831992
1-[3-[4-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]phenyl]ethanone
CID 117086963
2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749577
2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethylurea
CID 45482159
N-[(4-methoxyphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2115697
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
N-[(3,5-dimethoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine;oxalic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide (CID 24830551) is 2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide is COc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)nc3n(CC(N)=O)c2=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide?
The InChIKey is ZWJUHKCCGKHDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-35-17-7-5-15(6-8-17)21-23(34)32(13-19(28)33)22-18(30-21)9-10-20(31-22)29-12-14-3-2-4-16(11-14)24(25,26)27/h2-11H,12-13H2,1H3,(H2,28,33)(H,29,31).
What are the key properties of 2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide?
2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide has a molecular weight of 483.45 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]acetamide is sourced from PubChem (CID 24830551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).