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

C24H24F3N5O3S — CID 155831637

IUPAC2-[[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
SMILESCOc1cccc(-c2ccc3nc(C4CCN(Cc5nccs5)CC4)nn3c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H23N5OS.C2HF3O2/c1-28-19-4-2-3-17(13-19)18-5-6-20-24-22(25-27(20)14-18)16-7-10-26(11-8-16)15-21-23-9-12-29-21;3-2(4,5)1(6)7/h2-6,9,12-14,16H,7-8,10-11,15H2,1H3;(H,6,7)
InChIKeyWOFJKPRJYOABOJ-UHFFFAOYSA-N
MW519.55 g/mol
LogP4.87
Rot. Bonds5

About 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

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 (PubChem CID 155831637) has the molecular formula C24H24F3N5O3S and a molecular weight of 519.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID155831637
Molecular FormulaC24H24F3N5O3S
Molecular Weight519.55 g/mol
Exact Mass519.16
IUPAC Name2-[[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
SMILESCOc1cccc(-c2ccc3nc(C4CCN(Cc5nccs5)CC4)nn3c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H23N5OS.C2HF3O2/c1-28-19-4-2-3-17(13-19)18-5-6-20-24-22(25-27(20)14-18)16-7-10-26(11-8-16)15-21-23-9-12-29-21;3-2(4,5)1(6)7/h2-6,9,12-14,16H,7-8,10-11,15H2,1H3;(H,6,7)
InChIKeyWOFJKPRJYOABOJ-UHFFFAOYSA-N
XLogP4.87
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155829349
6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155853090
N,N-dimethyl-4-[[4-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]aniline;2,2,2-trifluoroacetic acid
CID 155851601
2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 131670835
2-[[9-[(3-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155849197
[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
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
6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171695344
6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155828085
2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155852445
[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155837546
(3-methylthiophen-2-yl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155865625

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(-c2ccc3nc(C4CCN(Cc5nccs5)CC4)nn3c2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is WOFJKPRJYOABOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS.C2HF3O2/c1-28-19-4-2-3-17(13-19)18-5-6-20-24-22(25-27(20)14-18)16-7-10-26(11-8-16)15-21-23-9-12-29-21;3-2(4,5)1(6)7/h2-6,9,12-14,16H,7-8,10-11,15H2,1H3;(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 519.55 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155831637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).