(1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine

C20H23N5O — CID 129277189

IUPAC(1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN1CC[C@H]1c1nnc2ccc(O[C@@H]3CC[C@H](N)c4ccccc43)cn12
InChIInChI=1S/C20H23N5O/c1-24-11-10-17(24)20-23-22-19-9-6-13(12-25(19)20)26-18-8-7-16(21)14-4-2-3-5-15(14)18/h2-6,9,12,16-18H,7-8,10-11,21H2,1H3/t16-,17-,18+/m0/s1
InChIKeyIKWMDXSEGWWZCQ-OKZBNKHCSA-N
MW349.44 g/mol
LogP3.02
Rot. Bonds3

About (1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine

(1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 129277189) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID129277189
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN1CC[C@H]1c1nnc2ccc(O[C@@H]3CC[C@H](N)c4ccccc43)cn12
InChIInChI=1S/C20H23N5O/c1-24-11-10-17(24)20-23-22-19-9-6-13(12-25(19)20)26-18-8-7-16(21)14-4-2-3-5-15(14)18/h2-6,9,12,16-18H,7-8,10-11,21H2,1H3/t16-,17-,18+/m0/s1
InChIKeyIKWMDXSEGWWZCQ-OKZBNKHCSA-N
XLogP3.02
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

(1S,4R)-4-[[3-[(2S)-1-[3-tri(propan-2-yl)silyloxypropyl]pyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86687112
(1S,4R)-4-[[3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 129277269
(1S,4R)-4-[[3-[(2S)-1,2-dimethylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86687035
(1S,4R)-4-[[3-[4-methyl-4-tri(propan-2-yl)silyloxypiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86687099
(1E)-1-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-3-[[(1S,4R)-4-[[3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 145338996
(1S,4R)-4-[[3-[(3S)-3-tri(propan-2-yl)silyloxypiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86687069
(4R)-4-[[3-[(2S)-1-methyl-2-[tri(propan-2-yl)silyloxymethyl]pyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 123897167
3-tert-butyl-N-methyl-5-[[(1S,4R)-4-[[3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]benzamide
CID 135353583
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[(1S,4R)-4-[[3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 129277351
3-tert-butyl-N-(2-hydroxyethyl)-5-[4-[(1S,4R)-4-[[3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]butanoylamino]benzamide
CID 129311381
[(1S,4R)-4-[[3-[(2R)-1,2-dimethylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 137354362
[5-tert-butyl-2-methoxy-3-[[(1S,4R)-4-[[3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]phenyl]sulfamoyl acetate
CID 140658202

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 129277189) is (1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine is CN1CC[C@H]1c1nnc2ccc(O[C@@H]3CC[C@H](N)c4ccccc43)cn12.
What is the InChIKey of (1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is IKWMDXSEGWWZCQ-OKZBNKHCSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24-11-10-17(24)20-23-22-19-9-6-13(12-25(19)20)26-18-8-7-16(21)14-4-2-3-5-15(14)18/h2-6,9,12,16-18H,7-8,10-11,21H2,1H3/t16-,17-,18+/m0/s1.
What are the key properties of (1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 349.44 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-[[3-[(2S)-1-methylazetidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 129277189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).