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

C21H20F6N6O — CID 129232769

IUPAC8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)COc1cccn2nc(NC3[C@@H]4CC[C@H]3CN(c3ccnc(C(F)(F)F)c3)C4)nc12
InChIInChI=1S/C21H20F6N6O/c22-20(23,24)11-34-15-2-1-7-33-18(15)30-19(31-33)29-17-12-3-4-13(17)10-32(9-12)14-5-6-28-16(8-14)21(25,26)27/h1-2,5-8,12-13,17H,3-4,9-11H2,(H,29,31)/t12-,13+,17?
InChIKeyVHCFIFNXNHPLHF-MPYYAJLASA-N
MW486.42 g/mol
LogP4.41
Rot. Bonds5

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

8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 129232769) has the molecular formula C21H20F6N6O and a molecular weight of 486.42 g/mol. Its IUPAC name is 8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID129232769
Molecular FormulaC21H20F6N6O
Molecular Weight486.42 g/mol
Exact Mass486.16
IUPAC Name8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)COc1cccn2nc(NC3[C@@H]4CC[C@H]3CN(c3ccnc(C(F)(F)F)c3)C4)nc12
InChIInChI=1S/C21H20F6N6O/c22-20(23,24)11-34-15-2-1-7-33-18(15)30-19(31-33)29-17-12-3-4-13(17)10-32(9-12)14-5-6-28-16(8-14)21(25,26)27/h1-2,5-8,12-13,17H,3-4,9-11H2,(H,29,31)/t12-,13+,17?
InChIKeyVHCFIFNXNHPLHF-MPYYAJLASA-N
XLogP4.41
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[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 8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129232769) is 8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is FC(F)(F)COc1cccn2nc(NC3[C@@H]4CC[C@H]3CN(c3ccnc(C(F)(F)F)c3)C4)nc12.
What is the InChIKey of 8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is VHCFIFNXNHPLHF-MPYYAJLASA-N. The full InChI is InChI=1S/C21H20F6N6O/c22-20(23,24)11-34-15-2-1-7-33-18(15)30-19(31-33)29-17-12-3-4-13(17)10-32(9-12)14-5-6-28-16(8-14)21(25,26)27/h1-2,5-8,12-13,17H,3-4,9-11H2,(H,29,31)/t12-,13+,17?.
What are the key properties of 8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 486.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 129232769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).