1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone

C67H52Cl5F6N9O3S3 — CID 159074638

IUPAC1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone
SMILESCCCn1cc(-n2c(Cl)c(Sc3cccc(C(C)=O)c3F)c3ccc(Cl)c(F)c32)cn1.CCn1cc(-n2c(C3CC3)c(Sc3cccc(C(C)=O)c3F)c3ccc(Cl)c(F)c32)cn1.CCn1cc(-n2c(Cl)c(Sc3cccc(C(C)=O)c3F)c3ccc(Cl)c(F)c32)cn1
InChIInChI=1S/C24H20ClF2N3OS.C22H17Cl2F2N3OS.C21H15Cl2F2N3OS/c1-3-29-12-15(11-28-29)30-22(14-7-8-14)24(17-9-10-18(25)21(27)23(17)30)32-19-6-4-5-16(13(2)31)20(19)26;1-3-9-28-11-13(10-27-28)29-20-15(7-8-16(23)19(20)26)21(22(29)24)31-17-6-4-5-14(12(2)30)18(17)25;1-3-27-10-12(9-26-27)28-19-14(7-8-15(22)18(19)25)20(21(28)23)30-16-6-4-5-13(11(2)29)17(16)24/h4-6,9-12,14H,3,7-8H2,1-2H3;4-8,10-11H,3,9H2,1-2H3;4-10H,3H2,1-2H3
InChIKeyKACBEJAYOPSFBL-UHFFFAOYSA-N
MW1418.67 g/mol
LogP20.97
Rot. Bonds17

About 1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone

1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone (PubChem CID 159074638) has the molecular formula C67H52Cl5F6N9O3S3 and a molecular weight of 1418.67 g/mol. Its IUPAC name is 1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone
PubChem CID159074638
Molecular FormulaC67H52Cl5F6N9O3S3
Molecular Weight1418.67 g/mol
Exact Mass1415.17
IUPAC Name1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone
SMILESCCCn1cc(-n2c(Cl)c(Sc3cccc(C(C)=O)c3F)c3ccc(Cl)c(F)c32)cn1.CCn1cc(-n2c(C3CC3)c(Sc3cccc(C(C)=O)c3F)c3ccc(Cl)c(F)c32)cn1.CCn1cc(-n2c(Cl)c(Sc3cccc(C(C)=O)c3F)c3ccc(Cl)c(F)c32)cn1
InChIInChI=1S/C24H20ClF2N3OS.C22H17Cl2F2N3OS.C21H15Cl2F2N3OS/c1-3-29-12-15(11-28-29)30-22(14-7-8-14)24(17-9-10-18(25)21(27)23(17)30)32-19-6-4-5-16(13(2)31)20(19)26;1-3-9-28-11-13(10-27-28)29-20-15(7-8-16(23)19(20)26)21(22(29)24)31-17-6-4-5-14(12(2)30)18(17)25;1-3-27-10-12(9-26-27)28-19-14(7-8-15(22)18(19)25)20(21(28)23)30-16-6-4-5-13(11(2)29)17(16)24/h4-6,9-12,14H,3,7-8H2,1-2H3;4-8,10-11H,3,9H2,1-2H3;4-10H,3H2,1-2H3
InChIKeyKACBEJAYOPSFBL-UHFFFAOYSA-N
XLogP20.97
TPSA119.46 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001418.67
LogP ≤ 520.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone with MolForge

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Related Compounds

3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorobenzoic acid;ethane
CID 170568344
CID 118094288
CID 118094288
3-[6-chloro-2-cyclopropyl-7-fluoro-1-[1-(3-hydroxy-2,2-dimethylpropyl)pyrazol-4-yl]indol-3-yl]sulfanyl-2-fluorobenzoic acid
CID 118094247
ethyl 3-[6-chloro-2-cyclopropyl-7-fluoro-1-[1-(3-hydroxy-2,2-dimethylpropyl)pyrazol-4-yl]indol-3-yl]sulfanyl-2-fluorobenzoate
CID 118104186
sodium 6-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanylpyridine-2-carboxylate
CID 118094272
2-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanol
CID 145194431
3-[6-chloro-1-(1-ethylpyrazol-4-yl)-7-fluoro-2-methylindol-3-yl]sulfanyl-2-fluoro-N'-phenylbenzohydrazide
CID 130458276
3-[1-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-chloro-2-cyclopropylindol-3-yl]sulfanyl-2-fluorobenzoic acid
CID 166729772
6-[6-chloro-7-fluoro-2-methyl-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanylpyridine-2-carboxylic acid
CID 71078418
3-[6-chloro-1-(1-ethylpyrazol-4-yl)-7-fluoro-2-methylindol-3-yl]sulfanylbenzoic acid
CID 66765428
6-[2-bromo-6-chloro-7-fluoro-1-(1-methylpyrazol-4-yl)indol-3-yl]sulfanylpyridine-2-carboxylic acid
CID 118874679
sodium 3-[6-chloro-2-cyclopropyl-7-fluoro-1-(2-spiro[2H-indole-3,1'-cyclobutane]-1-ylethyl)indol-3-yl]sulfanyl-2-fluorobenzoate
CID 122422707

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone?
The IUPAC name of 1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone (CID 159074638) is 1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone is CCCn1cc(-n2c(Cl)c(Sc3cccc(C(C)=O)c3F)c3ccc(Cl)c(F)c32)cn1.CCn1cc(-n2c(C3CC3)c(Sc3cccc(C(C)=O)c3F)c3ccc(Cl)c(F)c32)cn1.CCn1cc(-n2c(Cl)c(Sc3cccc(C(C)=O)c3F)c3ccc(Cl)c(F)c32)cn1.
What is the InChIKey of 1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone?
The InChIKey is KACBEJAYOPSFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3OS.C22H17Cl2F2N3OS.C21H15Cl2F2N3OS/c1-3-29-12-15(11-28-29)30-22(14-7-8-14)24(17-9-10-18(25)21(27)23(17)30)32-19-6-4-5-16(13(2)31)20(19)26;1-3-9-28-11-13(10-27-28)29-20-15(7-8-16(23)19(20)26)21(22(29)24)31-17-6-4-5-14(12(2)30)18(17)25;1-3-27-10-12(9-26-27)28-19-14(7-8-15(22)18(19)25)20(21(28)23)30-16-6-4-5-13(11(2)29)17(16)24/h4-6,9-12,14H,3,7-8H2,1-2H3;4-8,10-11H,3,9H2,1-2H3;4-10H,3H2,1-2H3.
What are the key properties of 1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone?
1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone has a molecular weight of 1418.67 g/mol, XLogP of 20.97, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorophenyl]ethanone;1-[3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorophenyl]ethanone is sourced from PubChem (CID 159074638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).