6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

C21H23F3N4O3 — CID 155853090

IUPAC6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(-c2ccc3nc(C4CCCN(C)C4)nn3c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N4O.C2HF3O2/c1-22-10-4-6-16(12-22)19-20-18-9-8-15(13-23(18)21-19)14-5-3-7-17(11-14)24-2;3-2(4,5)1(6)7/h3,5,7-9,11,13,16H,4,6,10,12H2,1-2H3;(H,6,7)
InChIKeyZAZNSEKOLQWQNS-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.85
Rot. Bonds3

About 6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 155853090) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID155853090
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(-c2ccc3nc(C4CCCN(C)C4)nn3c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N4O.C2HF3O2/c1-22-10-4-6-16(12-22)19-20-18-9-8-15(13-23(18)21-19)14-5-3-7-17(11-14)24-2;3-2(4,5)1(6)7/h3,5,7-9,11,13,16H,4,6,10,12H2,1-2H3;(H,6,7)
InChIKeyZAZNSEKOLQWQNS-UHFFFAOYSA-N
XLogP3.85
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155847062
furan-3-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone
CID 131671421
furan-2-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone
CID 131668923
2-[[4-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155831637
[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131671438
[3-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155851267
6-(3-fluorophenyl)-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155826048
2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155829349
4-[2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826344
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 131668931
N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155859926
(1-methylpyrrol-2-yl)-[3-(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155863827

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (CID 155853090) is 6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is COc1cccc(-c2ccc3nc(C4CCCN(C)C4)nn3c2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is ZAZNSEKOLQWQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.C2HF3O2/c1-22-10-4-6-16(12-22)19-20-18-9-8-15(13-23(18)21-19)14-5-3-7-17(11-14)24-2;3-2(4,5)1(6)7/h3,5,7-9,11,13,16H,4,6,10,12H2,1-2H3;(H,6,7).
What are the key properties of 6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 436.43 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155853090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).