4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol

C94H90Cl2F7N17O5 — CID 160959513

IUPAC4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol
SMILESCCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)cc(C#N)c21.CCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)cc(C(F)(F)F)c21.CCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)cc(F)c21.CCn1cc(-c2cn[nH]c2Cl)c2cc(C#CC(C)(C)O)c(F)c(F)c21.CN1CC(n2cc(-c3cn[nH]c3Cl)c3cc(C#CC(C)(C)O)c(F)cc32)C1
InChIInChI=1S/C20H20ClFN4O.C19H18F3N3O.C19H18N4O.C18H16ClF2N3O.C18H18FN3O/c1-20(2,27)5-4-12-6-14-16(15-8-23-24-19(15)21)11-26(13-9-25(3)10-13)18(14)7-17(12)22;1-4-25-11-15(13-9-23-24-10-13)14-7-12(5-6-18(2,3)26)8-16(17(14)25)19(20,21)22;1-4-23-12-17(15-10-21-22-11-15)16-8-13(5-6-19(2,3)24)7-14(9-20)18(16)23;1-4-24-9-13(12-8-22-23-17(12)19)11-7-10(5-6-18(2,3)25)14(20)15(21)16(11)24;1-4-22-11-15(13-9-20-21-10-13)14-7-12(5-6-18(2,3)23)8-16(19)17(14)22/h6-8,11,13,27H,9-10H2,1-3H3,(H,23,24);7-11,26H,4H2,1-3H3,(H,23,24);7-8,10-12,24H,4H2,1-3H3,(H,21,22);7-9,25H,4H2,1-3H3,(H,22,23);7-11,23H,4H2,1-3H3,(H,20,21)
InChIKeySWVGFVQKNQEIND-UHFFFAOYSA-N
MW1741.76 g/mol
LogP18.09
Rot. Bonds10

About 4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol

4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol (PubChem CID 160959513) has the molecular formula C94H90Cl2F7N17O5 and a molecular weight of 1741.76 g/mol. Its IUPAC name is 4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol
PubChem CID160959513
Molecular FormulaC94H90Cl2F7N17O5
Molecular Weight1741.76 g/mol
Exact Mass1739.66
IUPAC Name4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol
SMILESCCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)cc(C#N)c21.CCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)cc(C(F)(F)F)c21.CCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)cc(F)c21.CCn1cc(-c2cn[nH]c2Cl)c2cc(C#CC(C)(C)O)c(F)c(F)c21.CN1CC(n2cc(-c3cn[nH]c3Cl)c3cc(C#CC(C)(C)O)c(F)cc32)C1
InChIInChI=1S/C20H20ClFN4O.C19H18F3N3O.C19H18N4O.C18H16ClF2N3O.C18H18FN3O/c1-20(2,27)5-4-12-6-14-16(15-8-23-24-19(15)21)11-26(13-9-25(3)10-13)18(14)7-17(12)22;1-4-25-11-15(13-9-23-24-10-13)14-7-12(5-6-18(2,3)26)8-16(17(14)25)19(20,21)22;1-4-23-12-17(15-10-21-22-11-15)16-8-13(5-6-19(2,3)24)7-14(9-20)18(16)23;1-4-24-9-13(12-8-22-23-17(12)19)11-7-10(5-6-18(2,3)25)14(20)15(21)16(11)24;1-4-22-11-15(13-9-20-21-10-13)14-7-12(5-6-18(2,3)23)8-16(19)17(14)22/h6-8,11,13,27H,9-10H2,1-3H3,(H,23,24);7-11,26H,4H2,1-3H3,(H,23,24);7-8,10-12,24H,4H2,1-3H3,(H,21,22);7-9,25H,4H2,1-3H3,(H,22,23);7-11,23H,4H2,1-3H3,(H,20,21)
InChIKeySWVGFVQKNQEIND-UHFFFAOYSA-N
XLogP18.09
TPSA296.23 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001741.76
LogP ≤ 518.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol with MolForge

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Related Compounds

4-[7-chloro-3-(5-chloro-1H-pyrazol-4-yl)-1-ethylindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6-fluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylpiperidin-4-yl)indol-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylpiperidin-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol
CID 158051696
4-[3-(3-chloro-5-deuterio-1H-pyrazol-4-yl)-1-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-1-ethylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridine-2-carbonitrile
CID 159366415
4-[1-ethyl-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-methyl-3-(1H-pyrazol-4-yl)indol-5-yl]but-3-yn-2-ol;2-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-4-yl)indol-5-yl]but-3-yn-2-ol
CID 161620598
4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(3-hydroxypropyl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol
CID 161927210

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol (CID 160959513) is 4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol is CCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)cc(C#N)c21.CCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)cc(C(F)(F)F)c21.CCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)cc(F)c21.CCn1cc(-c2cn[nH]c2Cl)c2cc(C#CC(C)(C)O)c(F)c(F)c21.CN1CC(n2cc(-c3cn[nH]c3Cl)c3cc(C#CC(C)(C)O)c(F)cc32)C1.
What is the InChIKey of 4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol?
The InChIKey is SWVGFVQKNQEIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O.C19H18F3N3O.C19H18N4O.C18H16ClF2N3O.C18H18FN3O/c1-20(2,27)5-4-12-6-14-16(15-8-23-24-19(15)21)11-26(13-9-25(3)10-13)18(14)7-17(12)22;1-4-25-11-15(13-9-23-24-10-13)14-7-12(5-6-18(2,3)26)8-16(17(14)25)19(20,21)22;1-4-23-12-17(15-10-21-22-11-15)16-8-13(5-6-19(2,3)24)7-14(9-20)18(16)23;1-4-24-9-13(12-8-22-23-17(12)19)11-7-10(5-6-18(2,3)25)14(20)15(21)16(11)24;1-4-22-11-15(13-9-20-21-10-13)14-7-12(5-6-18(2,3)23)8-16(19)17(14)22/h6-8,11,13,27H,9-10H2,1-3H3,(H,23,24);7-11,26H,4H2,1-3H3,(H,23,24);7-8,10-12,24H,4H2,1-3H3,(H,21,22);7-9,25H,4H2,1-3H3,(H,22,23);7-11,23H,4H2,1-3H3,(H,20,21).
What are the key properties of 4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol?
4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 1741.76 g/mol, XLogP of 18.09, 10 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-chloro-1H-pyrazol-4-yl)-1-ethyl-6,7-difluoroindol-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(5-chloro-1H-pyrazol-4-yl)-6-fluoro-1-(1-methylazetidin-3-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-7-fluoro-3-(1H-pyrazol-4-yl)indol-5-yl]-2-methylbut-3-yn-2-ol;1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)-3-(1H-pyrazol-4-yl)indole-7-carbonitrile;4-[1-ethyl-3-(1H-pyrazol-4-yl)-7-(trifluoromethyl)indol-5-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 160959513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).