5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C18H18F3N5O — CID 59276200

IUPAC5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)c1ccc(Nc2nc3cccc(O[C@H]4CCCNC4)n3n2)cc1
InChIInChI=1S/C18H18F3N5O/c19-18(20,21)12-6-8-13(9-7-12)23-17-24-15-4-1-5-16(26(15)25-17)27-14-3-2-10-22-11-14/h1,4-9,14,22H,2-3,10-11H2,(H,23,25)/t14-/m0/s1
InChIKeyYMQMCDRAHUWXHT-AWEZNQCLSA-N
MW377.37 g/mol
LogP3.62
Rot. Bonds4

About 5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59276200) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59276200
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)c1ccc(Nc2nc3cccc(O[C@H]4CCCNC4)n3n2)cc1
InChIInChI=1S/C18H18F3N5O/c19-18(20,21)12-6-8-13(9-7-12)23-17-24-15-4-1-5-16(26(15)25-17)27-14-3-2-10-22-11-14/h1,4-9,14,22H,2-3,10-11H2,(H,23,25)/t14-/m0/s1
InChIKeyYMQMCDRAHUWXHT-AWEZNQCLSA-N
XLogP3.62
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67293414
1,2-bis[1-[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrrolidin-2-yl]ethane-1,2-diol
CID 90982538
trans-(1S,3S)-3-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclopentan-1-ol
CID 67294213
[(1S,2S)-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]methanol
CID 71179695
[(1S,2R)-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]methanol
CID 67293945
N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186438
4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 67293245
5-[2-(1-methoxyethyl)-3H-benzimidazol-5-yl]-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276660
1-[5-methoxy-6-[[(3R)-piperidin-3-yl]amino]pyrimidin-4-yl]-3-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-diamine
CID 58676750
4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 59186171
3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine
CID 83807041
ethyl 4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexane-1-carboxylate;2-[4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]propan-2-ol
CID 121282014

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59276200) is 5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is FC(F)(F)c1ccc(Nc2nc3cccc(O[C@H]4CCCNC4)n3n2)cc1.
What is the InChIKey of 5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YMQMCDRAHUWXHT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18F3N5O/c19-18(20,21)12-6-8-13(9-7-12)23-17-24-15-4-1-5-16(26(15)25-17)27-14-3-2-10-22-11-14/h1,4-9,14,22H,2-3,10-11H2,(H,23,25)/t14-/m0/s1.
What are the key properties of 5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 377.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-piperidin-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59276200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).