5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C19H22F3N7OS — CID 129216540

IUPAC5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(OCC(F)(F)F)ccc(C)n3n2)n1
InChIInChI=1S/C19H22F3N7OS/c1-10-3-6-14(30-9-19(20,21)22)16-25-17(26-29(10)16)24-15-12-4-5-13(15)8-28(7-12)18-23-11(2)27-31-18/h3,6,12-13,15H,4-5,7-9H2,1-2H3,(H,24,26)/t12-,13+,15?
InChIKeyGJMXDUWROMCLAB-NNQSOWQGSA-N
MW453.49 g/mol
LogP3.47
Rot. Bonds5

About 5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 129216540) has the molecular formula C19H22F3N7OS and a molecular weight of 453.49 g/mol. Its IUPAC name is 5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID129216540
Molecular FormulaC19H22F3N7OS
Molecular Weight453.49 g/mol
Exact Mass453.16
IUPAC Name5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(OCC(F)(F)F)ccc(C)n3n2)n1
InChIInChI=1S/C19H22F3N7OS/c1-10-3-6-14(30-9-19(20,21)22)16-25-17(26-29(10)16)24-15-12-4-5-13(15)8-28(7-12)18-23-11(2)27-31-18/h3,6,12-13,15H,4-5,7-9H2,1-2H3,(H,24,26)/t12-,13+,15?
InChIKeyGJMXDUWROMCLAB-NNQSOWQGSA-N
XLogP3.47
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129216540) is 5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(OCC(F)(F)F)ccc(C)n3n2)n1.
What is the InChIKey of 5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is GJMXDUWROMCLAB-NNQSOWQGSA-N. The full InChI is InChI=1S/C19H22F3N7OS/c1-10-3-6-14(30-9-19(20,21)22)16-25-17(26-29(10)16)24-15-12-4-5-13(15)8-28(7-12)18-23-11(2)27-31-18/h3,6,12-13,15H,4-5,7-9H2,1-2H3,(H,24,26)/t12-,13+,15?.
What are the key properties of 5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 453.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 129216540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).