2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

C56H47FN22O2S — CID 158726322

IUPAC2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCC(c1cc2ccccc2s1)n1nnc2ncc(-c3cnn(CCO)c3)nc21.CC(c1ccn2nccc2c1)n1nnc2ncc(-c3cnn(CCO)c3)nc21.Fc1ccc(-c2cnc3nnn(Cc4ccn5cccc5c4)c3n2)cc1
InChIInChI=1S/C19H13FN6.C19H17N7OS.C18H17N9O/c20-15-5-3-14(4-6-15)17-11-21-18-19(22-17)26(24-23-18)12-13-7-9-25-8-1-2-16(25)10-13;1-12(17-8-13-4-2-3-5-16(13)28-17)26-19-18(23-24-26)20-10-15(22-19)14-9-21-25(11-14)6-7-27;1-12(13-3-5-26-15(8-13)2-4-20-26)27-18-17(23-24-27)19-10-16(22-18)14-9-21-25(11-14)6-7-28/h1-11H,12H2;2-5,8-12,27H,6-7H2,1H3;2-5,8-12,28H,6-7H2,1H3
InChIKeyIKNUXKUPSGLIHM-UHFFFAOYSA-N
MW1111.21 g/mol
LogP7.56
Rot. Bonds13

About 2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 158726322) has the molecular formula C56H47FN22O2S and a molecular weight of 1111.21 g/mol. Its IUPAC name is 2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID158726322
Molecular FormulaC56H47FN22O2S
Molecular Weight1111.21 g/mol
Exact Mass1110.40
IUPAC Name2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCC(c1cc2ccccc2s1)n1nnc2ncc(-c3cnn(CCO)c3)nc21.CC(c1ccn2nccc2c1)n1nnc2ncc(-c3cnn(CCO)c3)nc21.Fc1ccc(-c2cnc3nnn(Cc4ccn5cccc5c4)c3n2)cc1
InChIInChI=1S/C19H13FN6.C19H17N7OS.C18H17N9O/c20-15-5-3-14(4-6-15)17-11-21-18-19(22-17)26(24-23-18)12-13-7-9-25-8-1-2-16(25)10-13;1-12(17-8-13-4-2-3-5-16(13)28-17)26-19-18(23-24-26)20-10-15(22-19)14-9-21-25(11-14)6-7-27;1-12(13-3-5-26-15(8-13)2-4-20-26)27-18-17(23-24-27)19-10-16(22-18)14-9-21-25(11-14)6-7-28/h1-11H,12H2;2-5,8-12,27H,6-7H2,1H3;2-5,8-12,28H,6-7H2,1H3
InChIKeyIKNUXKUPSGLIHM-UHFFFAOYSA-N
XLogP7.56
TPSA267.28 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001111.21
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-[3-[[5-[3-[[4-[4-[4-[5-[1-(4-Fluoro-2-methylphenyl)-1-hydroxyethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-4-[4-[5-[1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-3-ium-6-yl]thiophen-2-yl]methyl]-6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-3-ium-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)ethanol
CID 123163221
3-(1-benzothiophen-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(1-benzothiophen-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(4H-cyclopenta[b]thiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(4H-cyclopenta[b]thiophen-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 157684477
Diethyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-lambda4-sulfane;ethyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-methylidene-lambda6-sulfane;[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-lambda6-sulfane;2-[2-ethylsulfonyl-4-[(4-methylidene-1,4-oxathian-4-ylidene)amino]phenyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino-dimethyl-lambda4-sulfane;[5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-lambda6-sulfane
CID 157948543
3-(1-benzothiophen-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(4H-cyclopenta[b]thiophen-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 158642183
tris(3-(3H-dibenzothiophen-3-id-2-yl)pyrido[2,3-b]pyrazine);tris(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium;1-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-1-ium
CID 158864873
2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158942288
1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 159127075
2-(3-tert-butylpyrazol-1-id-5-yl)-1-methylpyridin-1-ium;tris(6-(3H-dibenzothiophen-3-id-2-yl)pyrido[2,3-b]pyrazine);tris(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium
CID 159232217
2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine
CID 159442323
2-[[5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1,3-benzothiazole;6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine;2-[4-[3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[4-[3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-4H-pyrazol-1-ium-1-yl]ethanol;3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 160132828
N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 160204100
5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 160268261

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 158726322) is 2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is CC(c1cc2ccccc2s1)n1nnc2ncc(-c3cnn(CCO)c3)nc21.CC(c1ccn2nccc2c1)n1nnc2ncc(-c3cnn(CCO)c3)nc21.Fc1ccc(-c2cnc3nnn(Cc4ccn5cccc5c4)c3n2)cc1.
What is the InChIKey of 2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is IKNUXKUPSGLIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6.C19H17N7OS.C18H17N9O/c20-15-5-3-14(4-6-15)17-11-21-18-19(22-17)26(24-23-18)12-13-7-9-25-8-1-2-16(25)10-13;1-12(17-8-13-4-2-3-5-16(13)28-17)26-19-18(23-24-26)20-10-15(22-19)14-9-21-25(11-14)6-7-27;1-12(13-3-5-26-15(8-13)2-4-20-26)27-18-17(23-24-27)19-10-16(22-18)14-9-21-25(11-14)6-7-28/h1-11H,12H2;2-5,8-12,27H,6-7H2,1H3;2-5,8-12,28H,6-7H2,1H3.
What are the key properties of 2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 1111.21 g/mol, XLogP of 7.56, 13 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-(1-benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 158726322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).