N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile

C133H129F4N23O11S5 — CID 157242210

IUPACN-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccnn4C)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4cnccc4OC)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Nc4ncccn4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C(F)(F)F)cc3n2C2CCC2)cc1.Cc1csc(Nc2ccc(-c3c(C#N)c4ccc(OCCF)cc4n3C3CCC3)cc2)n1
InChIInChI=1S/C28H25F3N4O3S.C28H28N4O3S.C26H26N6O2S.C26H27N5O2S.C25H23FN4OS/c1-2-15-39(36,37)34-19-10-8-18(9-11-19)26-23(17-32)22-13-12-21(16-25(22)35(26)20-5-3-6-20)38-27-24(28(29,30)31)7-4-14-33-27;1-3-15-36(33,34)31-21-10-7-19(8-11-21)28-24(17-29)23-12-9-20(25-18-30-14-13-27(25)35-2)16-26(23)32(28)22-5-4-6-22;1-2-15-35(33,34)31-19-9-7-18(8-10-19)25-23(17-27)22-12-11-20(30-26-28-13-4-14-29-26)16-24(22)32(25)21-5-3-6-21;1-3-15-34(32,33)29-20-10-7-18(8-11-20)26-23(17-27)22-12-9-19(24-13-14-28-30(24)2)16-25(22)31(26)21-5-4-6-21;1-16-15-32-25(28-16)29-18-7-5-17(6-8-18)24-22(14-27)21-10-9-20(31-12-11-26)13-23(21)30(24)19-3-2-4-19/h4,7-14,16,20,34H,2-3,5-6,15H2,1H3;7-14,16,18,22,31H,3-6,15H2,1-2H3;4,7-14,16,21,31H,2-3,5-6,15H2,1H3,(H,28,29,30);7-14,16,21,29H,3-6,15H2,1-2H3;5-10,13,15,19H,2-4,11-12H2,1H3,(H,28,29)
InChIKeyAVIODJPGXMDJSX-UHFFFAOYSA-N
MW2461.97 g/mol
LogP31.20
Rot. Bonds38

About N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile

N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile (PubChem CID 157242210) has the molecular formula C133H129F4N23O11S5 and a molecular weight of 2461.97 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile.

Molecular Properties

Compound NameN-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile
PubChem CID157242210
Molecular FormulaC133H129F4N23O11S5
Molecular Weight2461.97 g/mol
Exact Mass2459.88
IUPAC NameN-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccnn4C)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4cnccc4OC)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Nc4ncccn4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C(F)(F)F)cc3n2C2CCC2)cc1.Cc1csc(Nc2ccc(-c3c(C#N)c4ccc(OCCF)cc4n3C3CCC3)cc2)n1
InChIInChI=1S/C28H25F3N4O3S.C28H28N4O3S.C26H26N6O2S.C26H27N5O2S.C25H23FN4OS/c1-2-15-39(36,37)34-19-10-8-18(9-11-19)26-23(17-32)22-13-12-21(16-25(22)35(26)20-5-3-6-20)38-27-24(28(29,30)31)7-4-14-33-27;1-3-15-36(33,34)31-21-10-7-19(8-11-21)28-24(17-29)23-12-9-20(25-18-30-14-13-27(25)35-2)16-26(23)32(28)22-5-4-6-22;1-2-15-35(33,34)31-19-9-7-18(8-10-19)25-23(17-27)22-12-11-20(30-26-28-13-4-14-29-26)16-24(22)32(25)21-5-3-6-21;1-3-15-34(32,33)29-20-10-7-18(8-11-20)26-23(17-27)22-12-9-19(24-13-14-28-30(24)2)16-25(22)31(26)21-5-4-6-21;1-16-15-32-25(28-16)29-18-7-5-17(6-8-18)24-22(14-27)21-10-9-20(31-12-11-26)13-23(21)30(24)19-3-2-4-19/h4,7-14,16,20,34H,2-3,5-6,15H2,1H3;7-14,16,18,22,31H,3-6,15H2,1-2H3;4,7-14,16,21,31H,2-3,5-6,15H2,1H3,(H,28,29,30);7-14,16,21,29H,3-6,15H2,1-2H3;5-10,13,15,19H,2-4,11-12H2,1H3,(H,28,29)
InChIKeyAVIODJPGXMDJSX-UHFFFAOYSA-N
XLogP31.20
TPSA462.30 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds38
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002461.97
LogP ≤ 531.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile with MolForge

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Related Compounds

2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]phenyl]-1-cyclobutyl-6-pyrimidin-2-yloxyindole-3-carbonitrile;N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide;1-cyclobutyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate
CID 157098919
CID 157214734
CID 157214734
6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-methylpropyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-propan-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(1,3-thiazol-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-6-methyl-1-pyridin-4-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(1,3-thiazol-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 157354691
CID 157879237
CID 157879237
6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclopropyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclopropyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile
CID 158626621
CID 159077537
CID 159077537
N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;1-(cyclopropylmethyl)-2-[4-(propan-2-ylsulfamoylamino)phenyl]-6-(trifluoromethoxy)indole-3-carbonitrile;6-ethoxy-1-ethyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]-6-(trifluoromethoxy)indole-3-carbonitrile
CID 159201090
6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile
CID 159382616
N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide
CID 159834097
bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate
CID 159850417
N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile
CID 159970525
CID 160806767
CID 160806767

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile?
The IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile (CID 157242210) is N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile.
What is the SMILES notation for N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile?
The canonical SMILES for N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccnn4C)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4cnccc4OC)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Nc4ncccn4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C(F)(F)F)cc3n2C2CCC2)cc1.Cc1csc(Nc2ccc(-c3c(C#N)c4ccc(OCCF)cc4n3C3CCC3)cc2)n1.
What is the InChIKey of N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile?
The InChIKey is AVIODJPGXMDJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O3S.C28H28N4O3S.C26H26N6O2S.C26H27N5O2S.C25H23FN4OS/c1-2-15-39(36,37)34-19-10-8-18(9-11-19)26-23(17-32)22-13-12-21(16-25(22)35(26)20-5-3-6-20)38-27-24(28(29,30)31)7-4-14-33-27;1-3-15-36(33,34)31-21-10-7-19(8-11-21)28-24(17-29)23-12-9-20(25-18-30-14-13-27(25)35-2)16-26(23)32(28)22-5-4-6-22;1-2-15-35(33,34)31-19-9-7-18(8-10-19)25-23(17-27)22-12-11-20(30-26-28-13-4-14-29-26)16-24(22)32(25)21-5-3-6-21;1-3-15-34(32,33)29-20-10-7-18(8-11-20)26-23(17-27)22-12-9-19(24-13-14-28-30(24)2)16-25(22)31(26)21-5-4-6-21;1-16-15-32-25(28-16)29-18-7-5-17(6-8-18)24-22(14-27)21-10-9-20(31-12-11-26)13-23(21)30(24)19-3-2-4-19/h4,7-14,16,20,34H,2-3,5-6,15H2,1H3;7-14,16,18,22,31H,3-6,15H2,1-2H3;4,7-14,16,21,31H,2-3,5-6,15H2,1H3,(H,28,29,30);7-14,16,21,29H,3-6,15H2,1-2H3;5-10,13,15,19H,2-4,11-12H2,1H3,(H,28,29).
What are the key properties of N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile?
N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile has a molecular weight of 2461.97 g/mol, XLogP of 31.20, 38 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile is sourced from PubChem (CID 157242210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).