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

C20H20F4N6O — CID 129232179

IUPACN-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1cnccc1N1C[C@H]2CC[C@@H](C1)C2Nc1nc2c(OCC(F)(F)F)cccn2n1
InChIInChI=1S/C20H20F4N6O/c21-14-8-25-6-5-15(14)29-9-12-3-4-13(10-29)17(12)26-19-27-18-16(31-11-20(22,23)24)2-1-7-30(18)28-19/h1-2,5-8,12-13,17H,3-4,9-11H2,(H,26,28)/t12-,13+,17?
InChIKeyODPRYBOIWFYFOG-MPYYAJLASA-N
MW436.41 g/mol
LogP3.53
Rot. Bonds5

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

N-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-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 129232179) has the molecular formula C20H20F4N6O and a molecular weight of 436.41 g/mol. Its IUPAC name is N-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-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 NameN-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID129232179
Molecular FormulaC20H20F4N6O
Molecular Weight436.41 g/mol
Exact Mass436.16
IUPAC NameN-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1cnccc1N1C[C@H]2CC[C@@H](C1)C2Nc1nc2c(OCC(F)(F)F)cccn2n1
InChIInChI=1S/C20H20F4N6O/c21-14-8-25-6-5-15(14)29-9-12-3-4-13(10-29)17(12)26-19-27-18-16(31-11-20(22,23)24)2-1-7-30(18)28-19/h1-2,5-8,12-13,17H,3-4,9-11H2,(H,26,28)/t12-,13+,17?
InChIKeyODPRYBOIWFYFOG-MPYYAJLASA-N
XLogP3.53
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-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

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Related Compounds

4-(3-fluorophenyl)-N-[(1R,5S)-3-(2-methoxy-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 146306602
8-(3-Pyridin-2-yloxyazetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53321865
8-(3-Pyridin-3-yloxyazetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53323196
CID 129216530
CID 129216530
CID 129216615
CID 129216615
CID 129216657
CID 129216657
CID 129216689
CID 129216689
CID 129232085
CID 129232085
CID 129232132
CID 129232132
CID 129232711
CID 129232711
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
N-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129232828

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-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 N-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129232179) is N-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-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 N-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-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 N-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Fc1cnccc1N1C[C@H]2CC[C@@H](C1)C2Nc1nc2c(OCC(F)(F)F)cccn2n1.
What is the InChIKey of N-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-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 ODPRYBOIWFYFOG-MPYYAJLASA-N. The full InChI is InChI=1S/C20H20F4N6O/c21-14-8-25-6-5-15(14)29-9-12-3-4-13(10-29)17(12)26-19-27-18-16(31-11-20(22,23)24)2-1-7-30(18)28-19/h1-2,5-8,12-13,17H,3-4,9-11H2,(H,26,28)/t12-,13+,17?.
What are the key properties of N-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-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 436.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-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 129232179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).