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

C25H21F4N5O2 — CID 24831337

IUPACN-[2-[2-(4-fluorophenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(-c2ccc(F)cc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C25H21F4N5O2/c1-15(35)30-11-12-34-23-20(32-22(24(34)36)17-5-7-19(26)8-6-17)9-10-21(33-23)31-14-16-3-2-4-18(13-16)25(27,28)29/h2-10,13H,11-12,14H2,1H3,(H,30,35)(H,31,33)
InChIKeyXUDKYUFEPVPTDA-UHFFFAOYSA-N
MW499.47 g/mol
LogP4.36
Rot. Bonds7

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

N-[2-[2-(4-fluorophenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (PubChem CID 24831337) has the molecular formula C25H21F4N5O2 and a molecular weight of 499.47 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
PubChem CID24831337
Molecular FormulaC25H21F4N5O2
Molecular Weight499.47 g/mol
Exact Mass499.16
IUPAC NameN-[2-[2-(4-fluorophenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(-c2ccc(F)cc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C25H21F4N5O2/c1-15(35)30-11-12-34-23-20(32-22(24(34)36)17-5-7-19(26)8-6-17)9-10-21(33-23)31-14-16-3-2-4-18(13-16)25(27,28)29/h2-10,13H,11-12,14H2,1H3,(H,30,35)(H,31,33)
InChIKeyXUDKYUFEPVPTDA-UHFFFAOYSA-N
XLogP4.36
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (CID 24831337) is N-[2-[2-(4-fluorophenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is CC(=O)NCCn1c(=O)c(-c2ccc(F)cc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The InChIKey is XUDKYUFEPVPTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N5O2/c1-15(35)30-11-12-34-23-20(32-22(24(34)36)17-5-7-19(26)8-6-17)9-10-21(33-23)31-14-16-3-2-4-18(13-16)25(27,28)29/h2-10,13H,11-12,14H2,1H3,(H,30,35)(H,31,33).
What are the key properties of N-[2-[2-(4-fluorophenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
N-[2-[2-(4-fluorophenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide has a molecular weight of 499.47 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is sourced from PubChem (CID 24831337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).