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

C25H22F3N5O3 — CID 24830062

IUPAC3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]propanamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)nc3n(CCC(N)=O)c2=O)cc1
InChIInChI=1S/C25H22F3N5O3/c1-36-18-7-5-16(6-8-18)22-24(35)33(12-11-20(29)34)23-19(31-22)9-10-21(32-23)30-14-15-3-2-4-17(13-15)25(26,27)28/h2-10,13H,11-12,14H2,1H3,(H2,29,34)(H,30,32)
InChIKeyXWKNIHACUXAXDU-UHFFFAOYSA-N
MW497.48 g/mol
LogP3.97
Rot. Bonds8

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

3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]propanamide (PubChem CID 24830062) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]propanamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]propanamide
PubChem CID24830062
Molecular FormulaC25H22F3N5O3
Molecular Weight497.48 g/mol
Exact Mass497.17
IUPAC Name3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]propanamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)nc3n(CCC(N)=O)c2=O)cc1
InChIInChI=1S/C25H22F3N5O3/c1-36-18-7-5-16(6-8-18)22-24(35)33(12-11-20(29)34)23-19(31-22)9-10-21(32-23)30-14-15-3-2-4-17(13-15)25(26,27)28/h2-10,13H,11-12,14H2,1H3,(H2,29,34)(H,30,32)
InChIKeyXWKNIHACUXAXDU-UHFFFAOYSA-N
XLogP3.97
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]propanamide?
The IUPAC name of 3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]propanamide (CID 24830062) is 3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]propanamide.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]propanamide?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]propanamide is COc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)nc3n(CCC(N)=O)c2=O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]propanamide?
The InChIKey is XWKNIHACUXAXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O3/c1-36-18-7-5-16(6-8-18)22-24(35)33(12-11-20(29)34)23-19(31-22)9-10-21(32-23)30-14-15-3-2-4-17(13-15)25(26,27)28/h2-10,13H,11-12,14H2,1H3,(H2,29,34)(H,30,32).
What are the key properties of 3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]propanamide?
3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]propanamide has a molecular weight of 497.48 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]propanamide is sourced from PubChem (CID 24830062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).