N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C26H24F3N5O2 — CID 44556063

IUPACN-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESO=C(NC1CCCCC1)c1ccc(Nc2nc3cccc(-c4ccc(OC(F)(F)F)cc4)n3n2)cc1
InChIInChI=1S/C26H24F3N5O2/c27-26(28,29)36-21-15-11-17(12-16-21)22-7-4-8-23-32-25(33-34(22)23)31-20-13-9-18(10-14-20)24(35)30-19-5-2-1-3-6-19/h4,7-16,19H,1-3,5-6H2,(H,30,35)(H,31,33)
InChIKeyVTDKOPANARLBGZ-UHFFFAOYSA-N
MW495.51 g/mol
LogP6.10
Rot. Bonds6

About N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 44556063) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID44556063
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC NameN-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESO=C(NC1CCCCC1)c1ccc(Nc2nc3cccc(-c4ccc(OC(F)(F)F)cc4)n3n2)cc1
InChIInChI=1S/C26H24F3N5O2/c27-26(28,29)36-21-15-11-17(12-16-21)22-7-4-8-23-32-25(33-34(22)23)31-20-13-9-18(10-14-20)24(35)30-19-5-2-1-3-6-19/h4,7-16,19H,1-3,5-6H2,(H,30,35)(H,31,33)
InChIKeyVTDKOPANARLBGZ-UHFFFAOYSA-N
XLogP6.10
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 44556063) is N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is O=C(NC1CCCCC1)c1ccc(Nc2nc3cccc(-c4ccc(OC(F)(F)F)cc4)n3n2)cc1.
What is the InChIKey of N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is VTDKOPANARLBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c27-26(28,29)36-21-15-11-17(12-16-21)22-7-4-8-23-32-25(33-34(22)23)31-20-13-9-18(10-14-20)24(35)30-19-5-2-1-3-6-19/h4,7-16,19H,1-3,5-6H2,(H,30,35)(H,31,33).
What are the key properties of N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 495.51 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 44556063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).