N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide

C25H21F3N6O — CID 166984947

IUPACN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1nn(CCc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C25H21F3N6O/c26-25(27,28)18-10-8-17(9-11-18)13-16-34-20-6-2-1-5-19(20)23(32-34)24(35)29-14-12-22-31-30-21-7-3-4-15-33(21)22/h1-11,15H,12-14,16H2,(H,29,35)
InChIKeyZMTSYANHTCHGPO-UHFFFAOYSA-N
MW478.48 g/mol
LogP4.31
Rot. Bonds7

About N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide

N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide (PubChem CID 166984947) has the molecular formula C25H21F3N6O and a molecular weight of 478.48 g/mol. Its IUPAC name is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide
PubChem CID166984947
Molecular FormulaC25H21F3N6O
Molecular Weight478.48 g/mol
Exact Mass478.17
IUPAC NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1nn(CCc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C25H21F3N6O/c26-25(27,28)18-10-8-17(9-11-18)13-16-34-20-6-2-1-5-19(20)23(32-34)24(35)29-14-12-22-31-30-21-7-3-4-15-33(21)22/h1-11,15H,12-14,16H2,(H,29,35)
InChIKeyZMTSYANHTCHGPO-UHFFFAOYSA-N
XLogP4.31
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2,4-difluorophenyl)ethyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984673
1-(1,3-benzothiazol-2-ylmethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166985060
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984948
5-bromo-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984988
1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984672
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984580
4-chloro-1-[(4-chlorophenyl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984963
1-ethyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111765149
1,2-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111299742
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510

Frequently Asked Questions

What is the IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide?
The IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide (CID 166984947) is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide.
What is the SMILES notation for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide?
The canonical SMILES for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide is O=C(NCCc1nnc2ccccn12)c1nn(CCc2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide?
The InChIKey is ZMTSYANHTCHGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O/c26-25(27,28)18-10-8-17(9-11-18)13-16-34-20-6-2-1-5-19(20)23(32-34)24(35)29-14-12-22-31-30-21-7-3-4-15-33(21)22/h1-11,15H,12-14,16H2,(H,29,35).
What are the key properties of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide?
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide has a molecular weight of 478.48 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]indazole-3-carboxamide is sourced from PubChem (CID 166984947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).