3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole

C64H75F7N10O8S4 — CID 158226193

IUPAC3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole
SMILESCC(C)S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.Cn1cc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cn1.O=S(=O)(C1CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.O=S(=O)(CC(F)(F)F)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C17H19FN4O2S.C16H19FN2O2S.C16H21FN2O2S.C15H16F4N2O2S/c1-21-11-14(9-20-21)25(23,24)22-6-4-12(5-7-22)16-10-19-17-8-13(18)2-3-15(16)17;17-12-1-4-14-15(10-18-16(14)9-12)11-5-7-19(8-6-11)22(20,21)13-2-3-13;1-11(2)22(20,21)19-7-5-12(6-8-19)15-10-18-16-9-13(17)3-4-14(15)16;16-11-1-2-12-13(8-20-14(12)7-11)10-3-5-21(6-4-10)24(22,23)9-15(17,18)19/h2-3,8-12,19H,4-7H2,1H3;1,4,9-11,13,18H,2-3,5-8H2;3-4,9-12,18H,5-8H2,1-2H3;1-2,7-8,10,20H,3-6,9H2
InChIKeyGDVFZMHIUYDLRV-UHFFFAOYSA-N
MW1373.62 g/mol
LogP12.19
Rot. Bonds12

About 3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole

3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole (PubChem CID 158226193) has the molecular formula C64H75F7N10O8S4 and a molecular weight of 1373.62 g/mol. Its IUPAC name is 3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole
PubChem CID158226193
Molecular FormulaC64H75F7N10O8S4
Molecular Weight1373.62 g/mol
Exact Mass1372.45
IUPAC Name3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole
SMILESCC(C)S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.Cn1cc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cn1.O=S(=O)(C1CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.O=S(=O)(CC(F)(F)F)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C17H19FN4O2S.C16H19FN2O2S.C16H21FN2O2S.C15H16F4N2O2S/c1-21-11-14(9-20-21)25(23,24)22-6-4-12(5-7-22)16-10-19-17-8-13(18)2-3-15(16)17;17-12-1-4-14-15(10-18-16(14)9-12)11-5-7-19(8-6-11)22(20,21)13-2-3-13;1-11(2)22(20,21)19-7-5-12(6-8-19)15-10-18-16-9-13(17)3-4-14(15)16;16-11-1-2-12-13(8-20-14(12)7-11)10-3-5-21(6-4-10)24(22,23)9-15(17,18)19/h2-3,8-12,19H,4-7H2,1H3;1,4,9-11,13,18H,2-3,5-8H2;3-4,9-12,18H,5-8H2,1-2H3;1-2,7-8,10,20H,3-6,9H2
InChIKeyGDVFZMHIUYDLRV-UHFFFAOYSA-N
XLogP12.19
TPSA230.50 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001373.62
LogP ≤ 512.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole with MolForge

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Related Compounds

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole
CID 157251156
4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;4-(4-propylsulfonylpiperazin-1-yl)-1H-indazole;4-[4-(2,2,2-trifluoroethylsulfonyl)piperazin-1-yl]-1H-indazole
CID 157294164
4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indole;4-(1H-indol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indol-4-yl)piperazine-1-sulfonamide;4-[4-(2,2,2-trifluoroethylsulfonyl)piperazin-1-yl]-1H-indole
CID 157683829
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 157780412
1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 157814439
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole
CID 158477195
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
CID 158642201
1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 158820539
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 158876147
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 158957119
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole
CID 159364559
benzyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-lambda6-sulfane;3-[1-(1,1-difluoroethylsulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;N-[[4-(1H-indol-3-yl)piperazin-1-yl]-methylidene-oxo-lambda6-sulfanyl]methanamine
CID 159495100

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole?
The IUPAC name of 3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole (CID 158226193) is 3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole.
What is the SMILES notation for 3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole?
The canonical SMILES for 3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole is CC(C)S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.Cn1cc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cn1.O=S(=O)(C1CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.O=S(=O)(CC(F)(F)F)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole?
The InChIKey is GDVFZMHIUYDLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S.C16H19FN2O2S.C16H21FN2O2S.C15H16F4N2O2S/c1-21-11-14(9-20-21)25(23,24)22-6-4-12(5-7-22)16-10-19-17-8-13(18)2-3-15(16)17;17-12-1-4-14-15(10-18-16(14)9-12)11-5-7-19(8-6-11)22(20,21)13-2-3-13;1-11(2)22(20,21)19-7-5-12(6-8-19)15-10-18-16-9-13(17)3-4-14(15)16;16-11-1-2-12-13(8-20-14(12)7-11)10-3-5-21(6-4-10)24(22,23)9-15(17,18)19/h2-3,8-12,19H,4-7H2,1H3;1,4,9-11,13,18H,2-3,5-8H2;3-4,9-12,18H,5-8H2,1-2H3;1-2,7-8,10,20H,3-6,9H2.
What are the key properties of 3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole?
3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole has a molecular weight of 1373.62 g/mol, XLogP of 12.19, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole is sourced from PubChem (CID 158226193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).