N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide

C15H13F3N6O — CID 167813104

IUPACN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
SMILESO=C(NC1CCn2ncnc2C1)c1n[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C15H13F3N6O/c16-15(17,18)8-1-2-11-10(5-8)13(23-22-11)14(25)21-9-3-4-24-12(6-9)19-7-20-24/h1-2,5,7,9H,3-4,6H2,(H,21,25)(H,22,23)
InChIKeyWJJYOEOSFRKTNX-UHFFFAOYSA-N
MW350.30 g/mol
LogP1.92
Rot. Bonds2

About N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide (PubChem CID 167813104) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
PubChem CID167813104
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
SMILESO=C(NC1CCn2ncnc2C1)c1n[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C15H13F3N6O/c16-15(17,18)8-1-2-11-10(5-8)13(23-22-11)14(25)21-9-3-4-24-12(6-9)19-7-20-24/h1-2,5,7,9H,3-4,6H2,(H,21,25)(H,22,23)
InChIKeyWJJYOEOSFRKTNX-UHFFFAOYSA-N
XLogP1.92
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 67273538
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CID 167793305
N-(1-methylpiperidin-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indazole-3-carboxamide
CID 139431459
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CID 119427244
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide
CID 78868865
5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
CID 11659418
N-(1-methyl-2-methylidenepiperidin-4-yl)-1H-indazole-3-carboxamide
CID 89010317
N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 160652856
5-amino-N-(3-methylcyclopentyl)-1H-indazole-3-carboxamide
CID 114542564
5-(2,3-dimethylimidazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 139431435
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxyamino)-1H-indazole-3-carboxamide
CID 91108211
5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide (CID 167813104) is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide is O=C(NC1CCn2ncnc2C1)c1n[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The InChIKey is WJJYOEOSFRKTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O/c16-15(17,18)8-1-2-11-10(5-8)13(23-22-11)14(25)21-9-3-4-24-12(6-9)19-7-20-24/h1-2,5,7,9H,3-4,6H2,(H,21,25)(H,22,23).
What are the key properties of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide has a molecular weight of 350.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 167813104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).