N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate

C116H133Cl3N24O17S6 — CID 165056868

IUPACN-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)N1C[C@H]2CC(N)C[C@H]2C1.COc1nsc(NC(=O)N2C[C@H]3CC(Nc4c(C)cnc5[nH]ccc45)C[C@H]3C2)n1.COc1nsc(NC(=O)Oc2ccccc2)n1.Cc1cnc2[nH]ccc2c1Cl.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1Cl.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1C[C@H]2CNC[C@H]2C1.O=S(=O)(Cl)c1ccccc1
InChIInChI=1S/C26H32N4O4S.C21H24N4O2S.C19H23N7O2S.C14H11ClN2O2S.C12H22N2O2.C10H9N3O3S.C8H7ClN2.C6H5ClO2S/c1-17-14-27-24-22(10-11-30(24)35(32,33)21-8-6-5-7-9-21)23(17)28-20-12-18-15-29(16-19(18)13-20)25(31)34-26(2,3)4;1-14-11-23-21-19(20(14)24-17-9-15-12-22-13-16(15)10-17)7-8-25(21)28(26,27)18-5-3-2-4-6-18;1-10-7-21-16-14(3-4-20-16)15(10)22-13-5-11-8-26(9-12(11)6-13)19(27)24-18-23-17(28-2)25-29-18;1-10-9-16-14-12(13(10)15)7-8-17(14)20(18,19)11-5-3-2-4-6-11;1-12(2,3)16-11(15)14-6-8-4-10(13)5-9(8)7-14;1-15-8-11-9(17-13-8)12-10(14)16-7-5-3-2-4-6-7;1-5-4-11-8-6(7(5)9)2-3-10-8;7-10(8,9)6-4-2-1-3-5-6/h5-11,14,18-20H,12-13,15-16H2,1-4H3,(H,27,28);2-8,11,15-17,22H,9-10,12-13H2,1H3,(H,23,24);3-4,7,11-13H,5-6,8-9H2,1-2H3,(H2,20,21,22)(H,23,24,25,27);2-9H,1H3;8-10H,4-7,13H2,1-3H3;2-6H,1H3,(H,11,12,13,14);2-4H,1H3,(H,10,11);1-5H/t18-,19+,20?;15-,16+,17?;11-,12+,13?;;8-,9+,10?;;;
InChIKeyQONSZRXLPLYHTH-RBZQEQGESA-N
MW2434.25 g/mol
LogP21.84
Rot. Bonds18

About N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate

N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate (PubChem CID 165056868) has the molecular formula C116H133Cl3N24O17S6 and a molecular weight of 2434.25 g/mol. Its IUPAC name is N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate.

Molecular Properties

Compound NameN-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate
PubChem CID165056868
Molecular FormulaC116H133Cl3N24O17S6
Molecular Weight2434.25 g/mol
Exact Mass2430.77
IUPAC NameN-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)N1C[C@H]2CC(N)C[C@H]2C1.COc1nsc(NC(=O)N2C[C@H]3CC(Nc4c(C)cnc5[nH]ccc45)C[C@H]3C2)n1.COc1nsc(NC(=O)Oc2ccccc2)n1.Cc1cnc2[nH]ccc2c1Cl.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1Cl.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1C[C@H]2CNC[C@H]2C1.O=S(=O)(Cl)c1ccccc1
InChIInChI=1S/C26H32N4O4S.C21H24N4O2S.C19H23N7O2S.C14H11ClN2O2S.C12H22N2O2.C10H9N3O3S.C8H7ClN2.C6H5ClO2S/c1-17-14-27-24-22(10-11-30(24)35(32,33)21-8-6-5-7-9-21)23(17)28-20-12-18-15-29(16-19(18)13-20)25(31)34-26(2,3)4;1-14-11-23-21-19(20(14)24-17-9-15-12-22-13-16(15)10-17)7-8-25(21)28(26,27)18-5-3-2-4-6-18;1-10-7-21-16-14(3-4-20-16)15(10)22-13-5-11-8-26(9-12(11)6-13)19(27)24-18-23-17(28-2)25-29-18;1-10-9-16-14-12(13(10)15)7-8-17(14)20(18,19)11-5-3-2-4-6-11;1-12(2,3)16-11(15)14-6-8-4-10(13)5-9(8)7-14;1-15-8-11-9(17-13-8)12-10(14)16-7-5-3-2-4-6-7;1-5-4-11-8-6(7(5)9)2-3-10-8;7-10(8,9)6-4-2-1-3-5-6/h5-11,14,18-20H,12-13,15-16H2,1-4H3,(H,27,28);2-8,11,15-17,22H,9-10,12-13H2,1H3,(H,23,24);3-4,7,11-13H,5-6,8-9H2,1-2H3,(H2,20,21,22)(H,23,24,25,27);2-9H,1H3;8-10H,4-7,13H2,1-3H3;2-6H,1H3,(H,11,12,13,14);2-4H,1H3,(H,10,11);1-5H/t18-,19+,20?;15-,16+,17?;11-,12+,13?;;8-,9+,10?;;;
InChIKeyQONSZRXLPLYHTH-RBZQEQGESA-N
XLogP21.84
TPSA521.29 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds18
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002434.25
LogP ≤ 521.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Analyze N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate?
The IUPAC name of N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate (CID 165056868) is N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate.
What is the SMILES notation for N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate?
The canonical SMILES for N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate is CC(C)(C)OC(=O)N1C[C@H]2CC(N)C[C@H]2C1.COc1nsc(NC(=O)N2C[C@H]3CC(Nc4c(C)cnc5[nH]ccc45)C[C@H]3C2)n1.COc1nsc(NC(=O)Oc2ccccc2)n1.Cc1cnc2[nH]ccc2c1Cl.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1Cl.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1C[C@H]2CNC[C@H]2C1.O=S(=O)(Cl)c1ccccc1.
What is the InChIKey of N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate?
The InChIKey is QONSZRXLPLYHTH-RBZQEQGESA-N. The full InChI is InChI=1S/C26H32N4O4S.C21H24N4O2S.C19H23N7O2S.C14H11ClN2O2S.C12H22N2O2.C10H9N3O3S.C8H7ClN2.C6H5ClO2S/c1-17-14-27-24-22(10-11-30(24)35(32,33)21-8-6-5-7-9-21)23(17)28-20-12-18-15-29(16-19(18)13-20)25(31)34-26(2,3)4;1-14-11-23-21-19(20(14)24-17-9-15-12-22-13-16(15)10-17)7-8-25(21)28(26,27)18-5-3-2-4-6-18;1-10-7-21-16-14(3-4-20-16)15(10)22-13-5-11-8-26(9-12(11)6-13)19(27)24-18-23-17(28-2)25-29-18;1-10-9-16-14-12(13(10)15)7-8-17(14)20(18,19)11-5-3-2-4-6-11;1-12(2,3)16-11(15)14-6-8-4-10(13)5-9(8)7-14;1-15-8-11-9(17-13-8)12-10(14)16-7-5-3-2-4-6-7;1-5-4-11-8-6(7(5)9)2-3-10-8;7-10(8,9)6-4-2-1-3-5-6/h5-11,14,18-20H,12-13,15-16H2,1-4H3,(H,27,28);2-8,11,15-17,22H,9-10,12-13H2,1H3,(H,23,24);3-4,7,11-13H,5-6,8-9H2,1-2H3,(H2,20,21,22)(H,23,24,25,27);2-9H,1H3;8-10H,4-7,13H2,1-3H3;2-6H,1H3,(H,11,12,13,14);2-4H,1H3,(H,10,11);1-5H/t18-,19+,20?;15-,16+,17?;11-,12+,13?;;8-,9+,10?;;;.
What are the key properties of N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate?
N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate has a molecular weight of 2434.25 g/mol, XLogP of 21.84, 18 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;tert-butyl (3aR,6aS)-5-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine;phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate is sourced from PubChem (CID 165056868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).