N-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide

C135H182Cl5F5N36O21S6 — CID 159305679

IUPACN-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
SMILESCC1CN(C(=O)n2ccc(NS(C)(=O)=O)n2)CCN1Cc1ccc(C(F)(F)F)cc1N1CCCC1.C[C@@H](c1ccc(Cl)c(N2CCC(F)CC2)c1)N1CCN(C(=O)n2ccc(NS(C)(=O)=O)n2)CC1.C[C@@H]1CN(C(=O)n2ccc(NS(C)(=O)=O)n2)CCN1Cc1ccc(Cl)c(N2CC3COCC3C2)c1.C[C@@H]1CN(Cc2ccc(Cl)c(N3CC4COCC4C3)c2)CCN1C(=O)n1ccc(NS(C)(=O)=O)n1.C[C@H]1CN(Cc2ccc(Cl)c(N3CC4COCC4C3)c2)CCN1C(=O)n1ccc(NS(C)(=O)=O)n1.C[C@H]1CN(Cc2ccc(Cl)c(N3CCC(F)CC3)c2)CCN1C(=O)n1ccc(NS(C)(=O)=O)n1
InChIInChI=1S/3C23H31ClN6O4S.2C22H30ClFN6O3S.C22H29F3N6O3S/c1-16-10-28(23(31)30-6-5-22(25-30)26-35(2,32)33)8-7-27(16)11-17-3-4-20(24)21(9-17)29-12-18-14-34-15-19(18)13-29;2*1-16-10-27(7-8-29(16)23(31)30-6-5-22(25-30)26-35(2,32)33)11-17-3-4-20(24)21(9-17)28-12-18-14-34-15-19(18)13-28;1-16(17-3-4-19(23)20(15-17)28-8-5-18(24)6-9-28)27-11-13-29(14-12-27)22(31)30-10-7-21(25-30)26-34(2,32)33;1-16-14-27(11-12-29(16)22(31)30-10-7-21(25-30)26-34(2,32)33)15-17-3-4-19(23)20(13-17)28-8-5-18(24)6-9-28;1-16-14-30(21(32)31-10-7-20(26-31)27-35(2,33)34)12-11-29(16)15-17-5-6-18(22(23,24)25)13-19(17)28-8-3-4-9-28/h3*3-6,9,16,18-19H,7-8,10-15H2,1-2H3,(H,25,26);3-4,7,10,15-16,18H,5-6,8-9,11-14H2,1-2H3,(H,25,26);3-4,7,10,13,16,18H,5-6,8-9,11-12,14-15H2,1-2H3,(H,25,26);5-7,10,13,16H,3-4,8-9,11-12,14-15H2,1-2H3,(H,26,27)/t3*16-,18?,19?;2*16-;/m11000./s1
InChIKeyLBWSHBYVXRJACL-CUBUEJLVSA-N
MW3109.83 g/mol
LogP15.76
Rot. Bonds30

About N-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide

N-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide (PubChem CID 159305679) has the molecular formula C135H182Cl5F5N36O21S6 and a molecular weight of 3109.83 g/mol. Its IUPAC name is N-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
PubChem CID159305679
Molecular FormulaC135H182Cl5F5N36O21S6
Molecular Weight3109.83 g/mol
Exact Mass3105.10
IUPAC NameN-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
SMILESCC1CN(C(=O)n2ccc(NS(C)(=O)=O)n2)CCN1Cc1ccc(C(F)(F)F)cc1N1CCCC1.C[C@@H](c1ccc(Cl)c(N2CCC(F)CC2)c1)N1CCN(C(=O)n2ccc(NS(C)(=O)=O)n2)CC1.C[C@@H]1CN(C(=O)n2ccc(NS(C)(=O)=O)n2)CCN1Cc1ccc(Cl)c(N2CC3COCC3C2)c1.C[C@@H]1CN(Cc2ccc(Cl)c(N3CC4COCC4C3)c2)CCN1C(=O)n1ccc(NS(C)(=O)=O)n1.C[C@H]1CN(Cc2ccc(Cl)c(N3CC4COCC4C3)c2)CCN1C(=O)n1ccc(NS(C)(=O)=O)n1.C[C@H]1CN(Cc2ccc(Cl)c(N3CCC(F)CC3)c2)CCN1C(=O)n1ccc(NS(C)(=O)=O)n1
InChIInChI=1S/3C23H31ClN6O4S.2C22H30ClFN6O3S.C22H29F3N6O3S/c1-16-10-28(23(31)30-6-5-22(25-30)26-35(2,32)33)8-7-27(16)11-17-3-4-20(24)21(9-17)29-12-18-14-34-15-19(18)13-29;2*1-16-10-27(7-8-29(16)23(31)30-6-5-22(25-30)26-35(2,32)33)11-17-3-4-20(24)21(9-17)28-12-18-14-34-15-19(18)13-28;1-16(17-3-4-19(23)20(15-17)28-8-5-18(24)6-9-28)27-11-13-29(14-12-27)22(31)30-10-7-21(25-30)26-34(2,32)33;1-16-14-27(11-12-29(16)22(31)30-10-7-21(25-30)26-34(2,32)33)15-17-3-4-19(23)20(13-17)28-8-5-18(24)6-9-28;1-16-14-30(21(32)31-10-7-20(26-31)27-35(2,33)34)12-11-29(16)15-17-5-6-18(22(23,24)25)13-19(17)28-8-3-4-9-28/h3*3-6,9,16,18-19H,7-8,10-15H2,1-2H3,(H,25,26);3-4,7,10,15-16,18H,5-6,8-9,11-14H2,1-2H3,(H,25,26);3-4,7,10,13,16,18H,5-6,8-9,11-12,14-15H2,1-2H3,(H,25,26);5-7,10,13,16H,3-4,8-9,11-12,14-15H2,1-2H3,(H,26,27)/t3*16-,18?,19?;2*16-;/m11000./s1
InChIKeyLBWSHBYVXRJACL-CUBUEJLVSA-N
XLogP15.76
TPSA572.37 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds30
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003109.83
LogP ≤ 515.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Analyze N-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide with MolForge

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Related Compounds

N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 142483088
N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 146517729
N-[1-[(3S)-4-[[3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 146517661
N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
CID 159419019
N-[1-[(3R)-4-[[4-chloro-3-(4,4-difluoropiperidin-1-yl)phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 142483107
N-[1-[4-[[2-(azetidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 139413173
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
CID 142482933
N-[1-[4-[[2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 139427945
N-[1-[4-[[3-[(3R)-3-fluoropyrrolidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 142483158
N-[1-[4-[[4-chloro-3-(4-cyanopiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 142483120
N-[1-[4-[[3-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 139413346
1-[3-[[4-[3-(methanesulfonamido)pyrazole-1-carbonyl]piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 139413387

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide (CID 159305679) is N-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide is CC1CN(C(=O)n2ccc(NS(C)(=O)=O)n2)CCN1Cc1ccc(C(F)(F)F)cc1N1CCCC1.C[C@@H](c1ccc(Cl)c(N2CCC(F)CC2)c1)N1CCN(C(=O)n2ccc(NS(C)(=O)=O)n2)CC1.C[C@@H]1CN(C(=O)n2ccc(NS(C)(=O)=O)n2)CCN1Cc1ccc(Cl)c(N2CC3COCC3C2)c1.C[C@@H]1CN(Cc2ccc(Cl)c(N3CC4COCC4C3)c2)CCN1C(=O)n1ccc(NS(C)(=O)=O)n1.C[C@H]1CN(Cc2ccc(Cl)c(N3CC4COCC4C3)c2)CCN1C(=O)n1ccc(NS(C)(=O)=O)n1.C[C@H]1CN(Cc2ccc(Cl)c(N3CCC(F)CC3)c2)CCN1C(=O)n1ccc(NS(C)(=O)=O)n1.
What is the InChIKey of N-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide?
The InChIKey is LBWSHBYVXRJACL-CUBUEJLVSA-N. The full InChI is InChI=1S/3C23H31ClN6O4S.2C22H30ClFN6O3S.C22H29F3N6O3S/c1-16-10-28(23(31)30-6-5-22(25-30)26-35(2,32)33)8-7-27(16)11-17-3-4-20(24)21(9-17)29-12-18-14-34-15-19(18)13-29;2*1-16-10-27(7-8-29(16)23(31)30-6-5-22(25-30)26-35(2,32)33)11-17-3-4-20(24)21(9-17)28-12-18-14-34-15-19(18)13-28;1-16(17-3-4-19(23)20(15-17)28-8-5-18(24)6-9-28)27-11-13-29(14-12-27)22(31)30-10-7-21(25-30)26-34(2,32)33;1-16-14-27(11-12-29(16)22(31)30-10-7-21(25-30)26-34(2,32)33)15-17-3-4-19(23)20(13-17)28-8-5-18(24)6-9-28;1-16-14-30(21(32)31-10-7-20(26-31)27-35(2,33)34)12-11-29(16)15-17-5-6-18(22(23,24)25)13-19(17)28-8-3-4-9-28/h3*3-6,9,16,18-19H,7-8,10-15H2,1-2H3,(H,25,26);3-4,7,10,15-16,18H,5-6,8-9,11-14H2,1-2H3,(H,25,26);3-4,7,10,13,16,18H,5-6,8-9,11-12,14-15H2,1-2H3,(H,25,26);5-7,10,13,16H,3-4,8-9,11-12,14-15H2,1-2H3,(H,26,27)/t3*16-,18?,19?;2*16-;/m11000./s1.
What are the key properties of N-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide?
N-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide has a molecular weight of 3109.83 g/mol, XLogP of 15.76, 30 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[(1S)-1-[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]ethyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(2S)-4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide is sourced from PubChem (CID 159305679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).