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

C26H21F6N5O2 — CID 24831654

IUPACN-[2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(-c2ccc(C(F)(F)F)cc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C26H21F6N5O2/c1-15(38)33-11-12-37-23-20(35-22(24(37)39)17-5-7-18(8-6-17)25(27,28)29)9-10-21(36-23)34-14-16-3-2-4-19(13-16)26(30,31)32/h2-10,13H,11-12,14H2,1H3,(H,33,38)(H,34,36)
InChIKeyVCLYZVBIWJLGDQ-UHFFFAOYSA-N
MW549.48 g/mol
LogP5.24
Rot. Bonds7

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

N-[2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (PubChem CID 24831654) has the molecular formula C26H21F6N5O2 and a molecular weight of 549.48 g/mol. Its IUPAC name is N-[2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
PubChem CID24831654
Molecular FormulaC26H21F6N5O2
Molecular Weight549.48 g/mol
Exact Mass549.16
IUPAC NameN-[2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(-c2ccc(C(F)(F)F)cc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C26H21F6N5O2/c1-15(38)33-11-12-37-23-20(35-22(24(37)39)17-5-7-18(8-6-17)25(27,28)29)9-10-21(36-23)34-14-16-3-2-4-19(13-16)26(30,31)32/h2-10,13H,11-12,14H2,1H3,(H,33,38)(H,34,36)
InChIKeyVCLYZVBIWJLGDQ-UHFFFAOYSA-N
XLogP5.24
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.48
LogP ≤ 55.24
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-[4-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (CID 24831654) is N-[2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-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-[4-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is CC(=O)NCCn1c(=O)c(-c2ccc(C(F)(F)F)cc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The InChIKey is VCLYZVBIWJLGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F6N5O2/c1-15(38)33-11-12-37-23-20(35-22(24(37)39)17-5-7-18(8-6-17)25(27,28)29)9-10-21(36-23)34-14-16-3-2-4-19(13-16)26(30,31)32/h2-10,13H,11-12,14H2,1H3,(H,33,38)(H,34,36).
What are the key properties of N-[2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
N-[2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide has a molecular weight of 549.48 g/mol, XLogP of 5.24, 7 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-[4-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is sourced from PubChem (CID 24831654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).