N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C18H16F6N6O — CID 51039463

IUPACN-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCc1nc2c(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)cc(C(F)(F)F)cn2n1
InChIInChI=1S/C18H16F6N6O/c1-9-25-16-12(6-10(17(19,20)21)7-30(16)27-9)26-14(31)8-29-13-5-3-2-4-11(13)15(28-29)18(22,23)24/h6-7H,2-5,8H2,1H3,(H,26,31)
InChIKeyFGFBXXNKVJYQLD-UHFFFAOYSA-N
MW446.36 g/mol
LogP3.79
Rot. Bonds3

About N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 51039463) has the molecular formula C18H16F6N6O and a molecular weight of 446.36 g/mol. Its IUPAC name is N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID51039463
Molecular FormulaC18H16F6N6O
Molecular Weight446.36 g/mol
Exact Mass446.13
IUPAC NameN-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCc1nc2c(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)cc(C(F)(F)F)cn2n1
InChIInChI=1S/C18H16F6N6O/c1-9-25-16-12(6-10(17(19,20)21)7-30(16)27-9)26-14(31)8-29-13-5-3-2-4-11(13)15(28-29)18(22,23)24/h6-7H,2-5,8H2,1H3,(H,26,31)
InChIKeyFGFBXXNKVJYQLD-UHFFFAOYSA-N
XLogP3.79
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide with MolForge

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Related Compounds

N-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527286
N-(2,5-dichlorophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129682
N-(2-nitrophenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523730
N,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
CID 19523830
N-(5-chloro-2-hydroxyphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527312
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129689
N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 146141181
N-[4-chloro-2-(trifluoromethoxy)phenyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 87187053
N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129711
N-(4-ethylphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523622
N-pyridin-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 58267378
N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129733

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 51039463) is N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is Cc1nc2c(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)cc(C(F)(F)F)cn2n1.
What is the InChIKey of N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is FGFBXXNKVJYQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N6O/c1-9-25-16-12(6-10(17(19,20)21)7-30(16)27-9)26-14(31)8-29-13-5-3-2-4-11(13)15(28-29)18(22,23)24/h6-7H,2-5,8H2,1H3,(H,26,31).
What are the key properties of N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 446.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 51039463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).