2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole

C54H53N25OS2 — CID 159603254

IUPAC2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole
SMILESCC(C)n1cc(-c2cnc3nnn(Cc4cc5[nH]ccc5s4)c3n2)cn1.CCn1cc2sc(Cn3nnc4ncc(-c5cnn(C(C)C)c5)nc43)cc2n1.C[C@H](c1ccn2cccc2c1)n1nnc2ncc(-c3cnn(CCO)c3)nc21
InChIInChI=1S/C19H18N8O.C18H19N9S.C17H16N8S/c1-13(14-4-6-25-5-2-3-16(25)9-14)27-19-18(23-24-27)20-11-17(22-19)15-10-21-26(12-15)7-8-28;1-4-25-10-16-14(23-25)5-13(28-16)9-27-18-17(22-24-27)19-7-15(21-18)12-6-20-26(8-12)11(2)3;1-10(2)24-8-11(6-20-24)14-7-19-16-17(21-14)25(23-22-16)9-12-5-13-15(26-12)3-4-18-13/h2-6,9-13,28H,7-8H2,1H3;5-8,10-11H,4,9H2,1-3H3;3-8,10,18H,9H2,1-2H3/t13-;;/m1../s1
InChIKeyMLTIUKYKBBWKHA-FFXKMJQXSA-N
MW1132.33 g/mol
LogP8.34
Rot. Bonds14

About 2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole

2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole (PubChem CID 159603254) has the molecular formula C54H53N25OS2 and a molecular weight of 1132.33 g/mol. Its IUPAC name is 2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole.

Molecular Properties

Compound Name2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole
PubChem CID159603254
Molecular FormulaC54H53N25OS2
Molecular Weight1132.33 g/mol
Exact Mass1131.43
IUPAC Name2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole
SMILESCC(C)n1cc(-c2cnc3nnn(Cc4cc5[nH]ccc5s4)c3n2)cn1.CCn1cc2sc(Cn3nnc4ncc(-c5cnn(C(C)C)c5)nc43)cc2n1.C[C@H](c1ccn2cccc2c1)n1nnc2ncc(-c3cnn(CCO)c3)nc21
InChIInChI=1S/C19H18N8O.C18H19N9S.C17H16N8S/c1-13(14-4-6-25-5-2-3-16(25)9-14)27-19-18(23-24-27)20-11-17(22-19)15-10-21-26(12-15)7-8-28;1-4-25-10-16-14(23-25)5-13(28-16)9-27-18-17(22-24-27)19-7-15(21-18)12-6-20-26(8-12)11(2)3;1-10(2)24-8-11(6-20-24)14-7-19-16-17(21-14)25(23-22-16)9-12-5-13-15(26-12)3-4-18-13/h2-6,9-13,28H,7-8H2,1H3;5-8,10-11H,4,9H2,1-3H3;3-8,10,18H,9H2,1-2H3/t13-;;/m1../s1
InChIKeyMLTIUKYKBBWKHA-FFXKMJQXSA-N
XLogP8.34
TPSA281.18 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001132.33
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze 2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole with MolForge

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Related Compounds

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
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
2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 161121873
3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 162042928
2-(8-Fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole
CID 162432931
[1-[[6-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-5-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-1-ium-1-yl]methyl]pyrrolidin-2-yl]-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]piperidin-1-yl]methanone
CID 164876173
2-(2,8-Dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole
CID 166922968
5-[3-[7-[3-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]-5-methylthiophen-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine
CID 162602273
2-[[5-[1-(oxetan-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole
CID 117968798
7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137034005
3-methyl-N-[5-[7-[5-methyl-2-[2-[5-(3-methyl-6-methylideneocta-2,4-dien-4-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]butanamide
CID 137141276
4-[2-[7-[2-[2-[8-[2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridin-6-yl]-9H-imidazo[4,5-h]quinolin-2-yl]ethyl]-7-methylpyrazolo[1,5-a]pyrazin-4-yl]-4-methylpyrazolo[1,5-a]pyrazin-2-yl]ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
CID 137284663

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole?
The IUPAC name of 2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole (CID 159603254) is 2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole.
What is the SMILES notation for 2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole?
The canonical SMILES for 2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole is CC(C)n1cc(-c2cnc3nnn(Cc4cc5[nH]ccc5s4)c3n2)cn1.CCn1cc2sc(Cn3nnc4ncc(-c5cnn(C(C)C)c5)nc43)cc2n1.C[C@H](c1ccn2cccc2c1)n1nnc2ncc(-c3cnn(CCO)c3)nc21.
What is the InChIKey of 2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole?
The InChIKey is MLTIUKYKBBWKHA-FFXKMJQXSA-N. The full InChI is InChI=1S/C19H18N8O.C18H19N9S.C17H16N8S/c1-13(14-4-6-25-5-2-3-16(25)9-14)27-19-18(23-24-27)20-11-17(22-19)15-10-21-26(12-15)7-8-28;1-4-25-10-16-14(23-25)5-13(28-16)9-27-18-17(22-24-27)19-7-15(21-18)12-6-20-26(8-12)11(2)3;1-10(2)24-8-11(6-20-24)14-7-19-16-17(21-14)25(23-22-16)9-12-5-13-15(26-12)3-4-18-13/h2-6,9-13,28H,7-8H2,1H3;5-8,10-11H,4,9H2,1-3H3;3-8,10,18H,9H2,1-2H3/t13-;;/m1../s1.
What are the key properties of 2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole?
2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole has a molecular weight of 1132.33 g/mol, XLogP of 8.34, 14 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole is sourced from PubChem (CID 159603254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).