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

C26H24F3N5O4 — CID 24831015

IUPACN-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cccc(OC(F)(F)F)c4)nc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C26H24F3N5O4/c1-16(35)30-12-13-34-24-21(32-23(25(34)36)18-6-8-19(37-2)9-7-18)10-11-22(33-24)31-15-17-4-3-5-20(14-17)38-26(27,28)29/h3-11,14H,12-13,15H2,1-2H3,(H,30,35)(H,31,33)
InChIKeyQXNOTUKNWZNQSX-UHFFFAOYSA-N
MW527.50 g/mol
LogP4.11
Rot. Bonds9

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

N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (PubChem CID 24831015) has the molecular formula C26H24F3N5O4 and a molecular weight of 527.50 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
PubChem CID24831015
Molecular FormulaC26H24F3N5O4
Molecular Weight527.50 g/mol
Exact Mass527.18
IUPAC NameN-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cccc(OC(F)(F)F)c4)nc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C26H24F3N5O4/c1-16(35)30-12-13-34-24-21(32-23(25(34)36)18-6-8-19(37-2)9-7-18)10-11-22(33-24)31-15-17-4-3-5-20(14-17)38-26(27,28)29/h3-11,14H,12-13,15H2,1-2H3,(H,30,35)(H,31,33)
InChIKeyQXNOTUKNWZNQSX-UHFFFAOYSA-N
XLogP4.11
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (CID 24831015) is N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is COc1ccc(-c2nc3ccc(NCc4cccc(OC(F)(F)F)c4)nc3n(CCNC(C)=O)c2=O)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The InChIKey is QXNOTUKNWZNQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O4/c1-16(35)30-12-13-34-24-21(32-23(25(34)36)18-6-8-19(37-2)9-7-18)10-11-22(33-24)31-15-17-4-3-5-20(14-17)38-26(27,28)29/h3-11,14H,12-13,15H2,1-2H3,(H,30,35)(H,31,33).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide has a molecular weight of 527.50 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is sourced from PubChem (CID 24831015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).