3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine

C16H15F3N8O — CID 155365204

IUPAC3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCOC(F)(F)F)c2n1
InChIInChI=1S/C16H15F3N8O/c1-9-5-13-21-8-22-27(13)7-12(9)23-15-20-6-11-10(2)25-26(14(11)24-15)3-4-28-16(17,18)19/h5-8H,3-4H2,1-2H3,(H,20,23,24)
InChIKeyLYMCPHKHFZRXAN-UHFFFAOYSA-N
MW392.35 g/mol
LogP2.77
Rot. Bonds5

About 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine

3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 155365204) has the molecular formula C16H15F3N8O and a molecular weight of 392.35 g/mol. Its IUPAC name is 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID155365204
Molecular FormulaC16H15F3N8O
Molecular Weight392.35 g/mol
Exact Mass392.13
IUPAC Name3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCOC(F)(F)F)c2n1
InChIInChI=1S/C16H15F3N8O/c1-9-5-13-21-8-22-27(13)7-12(9)23-15-20-6-11-10(2)25-26(14(11)24-15)3-4-28-16(17,18)19/h5-8H,3-4H2,1-2H3,(H,20,23,24)
InChIKeyLYMCPHKHFZRXAN-UHFFFAOYSA-N
XLogP2.77
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine with MolForge

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Related Compounds

3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 155365359
1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 155365171
3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol
CID 167562095
1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 155365190
8-(1,1-dimethylthian-4-yl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 176919026
9-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
CID 156576529
bis(3-methyl-1-(2-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(4-[3-methyl-6-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxepan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine)
CID 167707354
4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 167639993
N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine
CID 166810707
2-[3-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]-1-bicyclo[1.1.1]pentanyl]acetonitrile
CID 176845877
5'-methyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
CID 167362920
7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one
CID 172691208

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine (CID 155365204) is 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine is Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCOC(F)(F)F)c2n1.
What is the InChIKey of 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is LYMCPHKHFZRXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N8O/c1-9-5-13-21-8-22-27(13)7-12(9)23-15-20-6-11-10(2)25-26(14(11)24-15)3-4-28-16(17,18)19/h5-8H,3-4H2,1-2H3,(H,20,23,24).
What are the key properties of 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine?
3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 392.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 155365204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).