N-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide

C303H395Cl9F5N81O37S9 — CID 158636831

IUPACN-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESC=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C(N)=O)c(C(F)(F)F)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cccc(C)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cccc(C)c3C)CC2)n1.CCN1CC2CN(c3cc(CN4CCN(C(=O)n5ccc(NS(C)(=O)=O)n5)CC4)ccc3Cl)CC2C1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4CC5CNCC5C4)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4CCC(F)(F)CC4)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4CCC5(CCOCC5)C4)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4CCO[C@@H]5CCC[C@@H]54)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4C[C@H]5C[C@@H]4CO5)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)n1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)cc1N1CCC[C@@H]1C.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)cc1N1CCC[C@H]1C
InChIInChI=1S/C25H29N5O.C24H34ClN7O3S.C24H33ClN6O4S.C23H31ClN6O4S.C22H30ClN7O3S.C22H24ClN5O4S.2C22H32N6O3S.C21H27ClF2N6O3S.C21H27ClN6O4S.C20H23F3N6O2.C20H27N5O.C19H25N5O.C18H21Cl2N5O/c1-19(2)26-24-11-12-30(27-24)25(31)29-15-13-28(14-16-29)18-23-10-9-22(17-20(23)3)21-7-5-4-6-8-21;1-3-28-14-19-16-31(17-20(19)15-28)22-12-18(4-5-21(22)25)13-29-8-10-30(11-9-29)24(33)32-7-6-23(26-32)27-36(2,34)35;1-36(33,34)27-22-4-8-31(26-22)23(32)29-12-10-28(11-13-29)17-19-2-3-20(25)21(16-19)30-9-5-24(18-30)6-14-35-15-7-24;1-35(32,33)26-22-7-8-30(25-22)23(31)28-11-9-27(10-12-28)16-17-5-6-18(24)20(15-17)29-13-14-34-21-4-2-3-19(21)29;1-34(32,33)26-21-4-5-30(25-21)22(31)28-8-6-27(7-9-28)13-16-2-3-19(23)20(10-16)29-14-17-11-24-12-18(17)15-29;1-33(30,31)25-21-9-10-28(24-21)22(29)27-13-11-26(12-14-27)16-17-3-2-4-20(15-17)32-19-7-5-18(23)6-8-19;2*1-17-6-7-19(15-20(17)27-9-4-5-18(27)2)16-25-11-13-26(14-12-25)22(29)28-10-8-21(23-28)24-32(3,30)31;1-34(32,33)26-19-4-7-30(25-19)20(31)29-12-10-27(11-13-29)15-16-2-3-17(22)18(14-16)28-8-5-21(23,24)6-9-28;1-33(30,31)24-20-4-5-28(23-20)21(29)26-8-6-25(7-9-26)12-15-2-3-18(22)19(10-15)27-13-17-11-16(27)14-32-17;1-13(2)25-17-5-6-29(26-17)19(31)28-9-7-27(8-10-28)12-14-3-4-15(18(24)30)16(11-14)20(21,22)23;1-15(2)21-19-8-9-25(22-19)20(26)24-12-10-23(11-13-24)14-18-7-5-6-16(3)17(18)4;1-15(2)20-18-7-8-24(21-18)19(25)23-11-9-22(10-12-23)14-17-6-4-5-16(3)13-17;1-13(2)21-17-3-4-25(22-17)18(26)24-7-5-23(6-8-24)12-14-9-15(19)11-16(20)10-14/h4-12,17H,1,13-16,18H2,2-3H3,(H,26,27);4-7,12,19-20H,3,8-11,13-17H2,1-2H3,(H,26,27);2-4,8,16H,5-7,9-15,17-18H2,1H3,(H,26,27);5-8,15,19,21H,2-4,9-14,16H2,1H3,(H,25,26);2-5,10,17-18,24H,6-9,11-15H2,1H3,(H,25,26);2-10,15H,11-14,16H2,1H3,(H,24,25);2*6-8,10,15,18H,4-5,9,11-14,16H2,1-3H3,(H,23,24);2-4,7,14H,5-6,8-13,15H2,1H3,(H,25,26);2-5,10,16-17H,6-9,11-14H2,1H3,(H,23,24);3-6,11H,1,7-10,12H2,2H3,(H2,24,30)(H,25,26);5-9H,1,10-14H2,2-4H3,(H,21,22);4-8,13H,1,9-12,14H2,2-3H3,(H,20,21);3-4,9-11H,1,5-8,12H2,2H3,(H,21,22)/t;;;19-,21+;;;2*18-;;16-,17-;;;;/m...0..10.1..../s1
InChIKeyHZWJPNAGPJUGSS-FSZUERQTSA-N
MW6466.69 g/mol
LogP38.74
Rot. Bonds69

About N-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide

N-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 158636831) has the molecular formula C303H395Cl9F5N81O37S9 and a molecular weight of 6466.69 g/mol. Its IUPAC name is N-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID158636831
Molecular FormulaC303H395Cl9F5N81O37S9
Molecular Weight6466.69 g/mol
Exact Mass6457.61
IUPAC NameN-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESC=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C(N)=O)c(C(F)(F)F)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cccc(C)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cccc(C)c3C)CC2)n1.CCN1CC2CN(c3cc(CN4CCN(C(=O)n5ccc(NS(C)(=O)=O)n5)CC4)ccc3Cl)CC2C1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4CC5CNCC5C4)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4CCC(F)(F)CC4)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4CCC5(CCOCC5)C4)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4CCO[C@@H]5CCC[C@@H]54)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4C[C@H]5C[C@@H]4CO5)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)n1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)cc1N1CCC[C@@H]1C.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)cc1N1CCC[C@H]1C
InChIInChI=1S/C25H29N5O.C24H34ClN7O3S.C24H33ClN6O4S.C23H31ClN6O4S.C22H30ClN7O3S.C22H24ClN5O4S.2C22H32N6O3S.C21H27ClF2N6O3S.C21H27ClN6O4S.C20H23F3N6O2.C20H27N5O.C19H25N5O.C18H21Cl2N5O/c1-19(2)26-24-11-12-30(27-24)25(31)29-15-13-28(14-16-29)18-23-10-9-22(17-20(23)3)21-7-5-4-6-8-21;1-3-28-14-19-16-31(17-20(19)15-28)22-12-18(4-5-21(22)25)13-29-8-10-30(11-9-29)24(33)32-7-6-23(26-32)27-36(2,34)35;1-36(33,34)27-22-4-8-31(26-22)23(32)29-12-10-28(11-13-29)17-19-2-3-20(25)21(16-19)30-9-5-24(18-30)6-14-35-15-7-24;1-35(32,33)26-22-7-8-30(25-22)23(31)28-11-9-27(10-12-28)16-17-5-6-18(24)20(15-17)29-13-14-34-21-4-2-3-19(21)29;1-34(32,33)26-21-4-5-30(25-21)22(31)28-8-6-27(7-9-28)13-16-2-3-19(23)20(10-16)29-14-17-11-24-12-18(17)15-29;1-33(30,31)25-21-9-10-28(24-21)22(29)27-13-11-26(12-14-27)16-17-3-2-4-20(15-17)32-19-7-5-18(23)6-8-19;2*1-17-6-7-19(15-20(17)27-9-4-5-18(27)2)16-25-11-13-26(14-12-25)22(29)28-10-8-21(23-28)24-32(3,30)31;1-34(32,33)26-19-4-7-30(25-19)20(31)29-12-10-27(11-13-29)15-16-2-3-17(22)18(14-16)28-8-5-21(23,24)6-9-28;1-33(30,31)24-20-4-5-28(23-20)21(29)26-8-6-25(7-9-26)12-15-2-3-18(22)19(10-15)27-13-17-11-16(27)14-32-17;1-13(2)25-17-5-6-29(26-17)19(31)28-9-7-27(8-10-28)12-14-3-4-15(18(24)30)16(11-14)20(21,22)23;1-15(2)21-19-8-9-25(22-19)20(26)24-12-10-23(11-13-24)14-18-7-5-6-16(3)17(18)4;1-15(2)20-18-7-8-24(21-18)19(25)23-11-9-22(10-12-23)14-17-6-4-5-16(3)13-17;1-13(2)21-17-3-4-25(22-17)18(26)24-7-5-23(6-8-24)12-14-9-15(19)11-16(20)10-14/h4-12,17H,1,13-16,18H2,2-3H3,(H,26,27);4-7,12,19-20H,3,8-11,13-17H2,1-2H3,(H,26,27);2-4,8,16H,5-7,9-15,17-18H2,1H3,(H,26,27);5-8,15,19,21H,2-4,9-14,16H2,1H3,(H,25,26);2-5,10,17-18,24H,6-9,11-15H2,1H3,(H,25,26);2-10,15H,11-14,16H2,1H3,(H,24,25);2*6-8,10,15,18H,4-5,9,11-14,16H2,1-3H3,(H,23,24);2-4,7,14H,5-6,8-13,15H2,1H3,(H,25,26);2-5,10,16-17H,6-9,11-14H2,1H3,(H,23,24);3-6,11H,1,7-10,12H2,2H3,(H2,24,30)(H,25,26);5-9H,1,10-14H2,2-4H3,(H,21,22);4-8,13H,1,9-12,14H2,2-3H3,(H,20,21);3-4,9-11H,1,5-8,12H2,2H3,(H,21,22)/t;;;19-,21+;;;2*18-;;16-,17-;;;;/m...0..10.1..../s1
InChIKeyHZWJPNAGPJUGSS-FSZUERQTSA-N
XLogP38.74
TPSA1176.06 Ų
H-Bond Donors16
H-Bond Acceptors94
Rotatable Bonds69
Heavy Atoms444
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006466.69
LogP ≤ 538.74
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1094

Analyze N-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide (CID 158636831) is N-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide is C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C(N)=O)c(C(F)(F)F)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cccc(C)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cccc(C)c3C)CC2)n1.CCN1CC2CN(c3cc(CN4CCN(C(=O)n5ccc(NS(C)(=O)=O)n5)CC4)ccc3Cl)CC2C1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4CC5CNCC5C4)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4CCC(F)(F)CC4)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4CCC5(CCOCC5)C4)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4CCO[C@@H]5CCC[C@@H]54)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(N4C[C@H]5C[C@@H]4CO5)c3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)n1.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)cc1N1CCC[C@@H]1C.Cc1ccc(CN2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)cc1N1CCC[C@H]1C.
What is the InChIKey of N-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is HZWJPNAGPJUGSS-FSZUERQTSA-N. The full InChI is InChI=1S/C25H29N5O.C24H34ClN7O3S.C24H33ClN6O4S.C23H31ClN6O4S.C22H30ClN7O3S.C22H24ClN5O4S.2C22H32N6O3S.C21H27ClF2N6O3S.C21H27ClN6O4S.C20H23F3N6O2.C20H27N5O.C19H25N5O.C18H21Cl2N5O/c1-19(2)26-24-11-12-30(27-24)25(31)29-15-13-28(14-16-29)18-23-10-9-22(17-20(23)3)21-7-5-4-6-8-21;1-3-28-14-19-16-31(17-20(19)15-28)22-12-18(4-5-21(22)25)13-29-8-10-30(11-9-29)24(33)32-7-6-23(26-32)27-36(2,34)35;1-36(33,34)27-22-4-8-31(26-22)23(32)29-12-10-28(11-13-29)17-19-2-3-20(25)21(16-19)30-9-5-24(18-30)6-14-35-15-7-24;1-35(32,33)26-22-7-8-30(25-22)23(31)28-11-9-27(10-12-28)16-17-5-6-18(24)20(15-17)29-13-14-34-21-4-2-3-19(21)29;1-34(32,33)26-21-4-5-30(25-21)22(31)28-8-6-27(7-9-28)13-16-2-3-19(23)20(10-16)29-14-17-11-24-12-18(17)15-29;1-33(30,31)25-21-9-10-28(24-21)22(29)27-13-11-26(12-14-27)16-17-3-2-4-20(15-17)32-19-7-5-18(23)6-8-19;2*1-17-6-7-19(15-20(17)27-9-4-5-18(27)2)16-25-11-13-26(14-12-25)22(29)28-10-8-21(23-28)24-32(3,30)31;1-34(32,33)26-19-4-7-30(25-19)20(31)29-12-10-27(11-13-29)15-16-2-3-17(22)18(14-16)28-8-5-21(23,24)6-9-28;1-33(30,31)24-20-4-5-28(23-20)21(29)26-8-6-25(7-9-26)12-15-2-3-18(22)19(10-15)27-13-17-11-16(27)14-32-17;1-13(2)25-17-5-6-29(26-17)19(31)28-9-7-27(8-10-28)12-14-3-4-15(18(24)30)16(11-14)20(21,22)23;1-15(2)21-19-8-9-25(22-19)20(26)24-12-10-23(11-13-24)14-18-7-5-6-16(3)17(18)4;1-15(2)20-18-7-8-24(21-18)19(25)23-11-9-22(10-12-23)14-17-6-4-5-16(3)13-17;1-13(2)21-17-3-4-25(22-17)18(26)24-7-5-23(6-8-24)12-14-9-15(19)11-16(20)10-14/h4-12,17H,1,13-16,18H2,2-3H3,(H,26,27);4-7,12,19-20H,3,8-11,13-17H2,1-2H3,(H,26,27);2-4,8,16H,5-7,9-15,17-18H2,1H3,(H,26,27);5-8,15,19,21H,2-4,9-14,16H2,1H3,(H,25,26);2-5,10,17-18,24H,6-9,11-15H2,1H3,(H,25,26);2-10,15H,11-14,16H2,1H3,(H,24,25);2*6-8,10,15,18H,4-5,9,11-14,16H2,1-3H3,(H,23,24);2-4,7,14H,5-6,8-13,15H2,1H3,(H,25,26);2-5,10,16-17H,6-9,11-14H2,1H3,(H,23,24);3-6,11H,1,7-10,12H2,2H3,(H2,24,30)(H,25,26);5-9H,1,10-14H2,2-4H3,(H,21,22);4-8,13H,1,9-12,14H2,2-3H3,(H,20,21);3-4,9-11H,1,5-8,12H2,2H3,(H,21,22)/t;;;19-,21+;;;2*18-;;16-,17-;;;;/m...0..10.1..../s1.
What are the key properties of N-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide?
N-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 6466.69 g/mol, XLogP of 38.74, 69 rotatable bonds, 16 hydrogen bond donors, and 94 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2,3-dimethylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;N-[1-[4-[[4-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;4-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 158636831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).