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

C27H26F3N5O2 — CID 24829896

IUPACN-[2-[3-oxo-2-(2-phenylethyl)-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(CCc2ccccc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C27H26F3N5O2/c1-18(36)31-14-15-35-25-22(33-23(26(35)37)11-10-19-6-3-2-4-7-19)12-13-24(34-25)32-17-20-8-5-9-21(16-20)27(28,29)30/h2-9,12-13,16H,10-11,14-15,17H2,1H3,(H,31,36)(H,32,34)
InChIKeyKULCOWBSJFRAFV-UHFFFAOYSA-N
MW509.53 g/mol
LogP4.34
Rot. Bonds9

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

N-[2-[3-oxo-2-(2-phenylethyl)-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (PubChem CID 24829896) has the molecular formula C27H26F3N5O2 and a molecular weight of 509.53 g/mol. Its IUPAC name is N-[2-[3-oxo-2-(2-phenylethyl)-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-oxo-2-(2-phenylethyl)-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
PubChem CID24829896
Molecular FormulaC27H26F3N5O2
Molecular Weight509.53 g/mol
Exact Mass509.20
IUPAC NameN-[2-[3-oxo-2-(2-phenylethyl)-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(CCc2ccccc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C27H26F3N5O2/c1-18(36)31-14-15-35-25-22(33-23(26(35)37)11-10-19-6-3-2-4-7-19)12-13-24(34-25)32-17-20-8-5-9-21(16-20)27(28,29)30/h2-9,12-13,16H,10-11,14-15,17H2,1H3,(H,31,36)(H,32,34)
InChIKeyKULCOWBSJFRAFV-UHFFFAOYSA-N
XLogP4.34
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.53
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-oxo-2-(2-phenylethyl)-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-oxo-2-(2-phenylethyl)-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (CID 24829896) is N-[2-[3-oxo-2-(2-phenylethyl)-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-oxo-2-(2-phenylethyl)-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-oxo-2-(2-phenylethyl)-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is CC(=O)NCCn1c(=O)c(CCc2ccccc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[2-[3-oxo-2-(2-phenylethyl)-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The InChIKey is KULCOWBSJFRAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N5O2/c1-18(36)31-14-15-35-25-22(33-23(26(35)37)11-10-19-6-3-2-4-7-19)12-13-24(34-25)32-17-20-8-5-9-21(16-20)27(28,29)30/h2-9,12-13,16H,10-11,14-15,17H2,1H3,(H,31,36)(H,32,34).
What are the key properties of N-[2-[3-oxo-2-(2-phenylethyl)-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
N-[2-[3-oxo-2-(2-phenylethyl)-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide has a molecular weight of 509.53 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-oxo-2-(2-phenylethyl)-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is sourced from PubChem (CID 24829896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).