1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate

C105H109F2N13O21S4 — CID 159881349

IUPAC1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate
SMILESCN1CCCC1CCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CNS(=O)(=O)c1ccc(-c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(C)c2C)cc1.CS(=O)NCc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)cc1.O.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCCC(O)C3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
InChIInChI=1S/C29H32N4O5S.C27H27N3O6S.C25H25N3O5S.C24H21F2N3O4S.H2O.H2/c1-33-17-3-4-22(33)13-16-30-39(35,36)23-10-7-20(8-11-23)24-5-2-6-27(31-24)32-28(34)29(14-15-29)21-9-12-25-26(18-21)38-19-37-25;31-20-3-2-14-30(16-20)37(33,34)21-9-6-18(7-10-21)22-4-1-5-25(28-22)29-26(32)27(12-13-27)19-8-11-23-24(15-19)36-17-35-23;1-15-16(2)23(27-13-20(15)17-4-7-19(8-5-17)34(30,31)26-3)28-24(29)25(10-11-25)18-6-9-21-22(12-18)33-14-32-21;1-34(31)27-14-15-5-7-16(8-6-15)18-3-2-4-21(28-18)29-22(30)23(11-12-23)17-9-10-19-20(13-17)33-24(25,26)32-19;;/h2,5-12,18,22,30H,3-4,13-17,19H2,1H3,(H,31,32,34);1,4-11,15,20,31H,2-3,12-14,16-17H2,(H,28,29,32);4-9,12-13,26H,10-11,14H2,1-3H3,(H,27,28,29);2-10,13,27H,11-12,14H2,1H3,(H,28,29,30);1H2;1H
InChIKeyATGOQNQZNNTTSM-UHFFFAOYSA-N
MW2055.36 g/mol
LogP14.42
Rot. Bonds28

About 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate

1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate (PubChem CID 159881349) has the molecular formula C105H109F2N13O21S4 and a molecular weight of 2055.36 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate
PubChem CID159881349
Molecular FormulaC105H109F2N13O21S4
Molecular Weight2055.36 g/mol
Exact Mass2053.67
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate
SMILESCN1CCCC1CCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CNS(=O)(=O)c1ccc(-c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(C)c2C)cc1.CS(=O)NCc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)cc1.O.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCCC(O)C3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
InChIInChI=1S/C29H32N4O5S.C27H27N3O6S.C25H25N3O5S.C24H21F2N3O4S.H2O.H2/c1-33-17-3-4-22(33)13-16-30-39(35,36)23-10-7-20(8-11-23)24-5-2-6-27(31-24)32-28(34)29(14-15-29)21-9-12-25-26(18-21)38-19-37-25;31-20-3-2-14-30(16-20)37(33,34)21-9-6-18(7-10-21)22-4-1-5-25(28-22)29-26(32)27(12-13-27)19-8-11-23-24(15-19)36-17-35-23;1-15-16(2)23(27-13-20(15)17-4-7-19(8-5-17)34(30,31)26-3)28-24(29)25(10-11-25)18-6-9-21-22(12-18)33-14-32-21;1-34(31)27-14-15-5-7-16(8-6-15)18-3-2-4-21(28-18)29-22(30)23(11-12-23)17-9-10-19-20(13-17)33-24(25,26)32-19;;/h2,5-12,18,22,30H,3-4,13-17,19H2,1H3,(H,31,32,34);1,4-11,15,20,31H,2-3,12-14,16-17H2,(H,28,29,32);4-9,12-13,26H,10-11,14H2,1-3H3,(H,27,28,29);2-10,13,27H,11-12,14H2,1H3,(H,28,29,30);1H2;1H
InChIKeyATGOQNQZNNTTSM-UHFFFAOYSA-N
XLogP14.42
TPSA455.59 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002055.36
LogP ≤ 514.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate with MolForge

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Related Compounds

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-2-pyridinyl)ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N-methylbenzenesulfinamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]propan-1-one;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;hydrate
CID 157248161
N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 157253421
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
CID 157281025
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]benzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-3-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 157303137
1-(4H-1,3-benzodioxin-6-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N,N-dimethylbenzamide;1-(4-methoxyphenyl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 157575231
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,3-dimethylphenoxy)-3-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-[4-(methylsulfamoyl)phenyl]-3-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]cyclohexa-2,4-dien-1-one;molecular hydrogen
CID 157676397
1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-lambda4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 158039797
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158232219
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-ethylphenyl)-3,4-dimethyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 158302040
1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen
CID 158632825
3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158928524
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-2-pyridinyl)ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N-methylbenzenesulfonamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 158959959

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate (CID 159881349) is 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate is CN1CCCC1CCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CNS(=O)(=O)c1ccc(-c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(C)c2C)cc1.CS(=O)NCc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)cc1.O.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCCC(O)C3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate?
The InChIKey is ATGOQNQZNNTTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O5S.C27H27N3O6S.C25H25N3O5S.C24H21F2N3O4S.H2O.H2/c1-33-17-3-4-22(33)13-16-30-39(35,36)23-10-7-20(8-11-23)24-5-2-6-27(31-24)32-28(34)29(14-15-29)21-9-12-25-26(18-21)38-19-37-25;31-20-3-2-14-30(16-20)37(33,34)21-9-6-18(7-10-21)22-4-1-5-25(28-22)29-26(32)27(12-13-27)19-8-11-23-24(15-19)36-17-35-23;1-15-16(2)23(27-13-20(15)17-4-7-19(8-5-17)34(30,31)26-3)28-24(29)25(10-11-25)18-6-9-21-22(12-18)33-14-32-21;1-34(31)27-14-15-5-7-16(8-6-15)18-3-2-4-21(28-18)29-22(30)23(11-12-23)17-9-10-19-20(13-17)33-24(25,26)32-19;;/h2,5-12,18,22,30H,3-4,13-17,19H2,1H3,(H,31,32,34);1,4-11,15,20,31H,2-3,12-14,16-17H2,(H,28,29,32);4-9,12-13,26H,10-11,14H2,1-3H3,(H,27,28,29);2-10,13,27H,11-12,14H2,1H3,(H,28,29,30);1H2;1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate?
1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate has a molecular weight of 2055.36 g/mol, XLogP of 14.42, 28 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfinamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen;hydrate is sourced from PubChem (CID 159881349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).