3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride

C195H209Cl3N44O24S5 — CID 157214043

About 3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride

3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride (PubChem CID 157214043) has the molecular formula C195H209Cl3N44O24S5 and a molecular weight of 3819.79 g/mol. Its IUPAC name is 3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride.

Molecular Properties

• Compound Name: 3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride
• PubChem CID: 157214043
• Molecular Formula: C195H209Cl3N44O24S5
• Molecular Weight: 3819.79 g/mol
• Exact Mass: 3815.42
• IUPAC Name: 3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride
• SMILES: CC(C)(C)OC(=O)NC1CCCC(C(=O)Nc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)C1.CC(C)(C)OC(=O)NC1CCCC(C(=O)O)C1.CN(C)C/C=C/C(=O)NC1CCCC(C(=O)Nc2cccc(Nc3cc(-c4cnc5[nH]ccc5c4)ncn3)c2)C1.CN(C)C/C=C/C(=O)NC1CCCC(C(=O)Nc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)C1.CN(C)C/C=C/C(=O)O.Cl.Cl.NC1CCCC(C(=O)Nc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)C1.Nc1cccc(N)c1.Nc1cccc(Nc2cc(-c3cnc4c(ccn4S(=O)(=O)c4ccccc4)c3)ncn2)c1.O=S(=O)(c1ccccc1)n1ccc2cc(-c3cc(Cl)ncn3)cnc21
• InChI: InChI=1S/C36H38N8O4S.C35H37N7O5S.C30H34N8O2.C30H29N7O3S.C23H18N6O2S.C17H11ClN4O2S.C12H21NO4.C6H8N2.C6H11NO2.2ClH/c1-43(2)17-8-15-34(45)41-28-10-6-9-26(20-28)36(46)42-30-12-7-11-29(21-30)40-33-22-32(38-24-39-33)27-19-25-16-18-44(35(25)37-23-27)49(47,48)31-13-4-3-5-14-31;1-35(2,3)47-34(44)41-26-10-7-9-24(18-26)33(43)40-28-12-8-11-27(19-28)39-31-20-30(37-22-38-31)25-17-23-15-16-42(32(23)36-21-25)48(45,46)29-13-5-4-6-14-29;1-38(2)13-5-10-28(39)36-23-7-3-6-21(15-23)30(40)37-25-9-4-8-24(16-25)35-27-17-26(33-19-34-27)22-14-20-11-12-31-29(20)32-18-22;31-23-7-4-6-21(15-23)30(38)36-25-9-5-8-24(16-25)35-28-17-27(33-19-34-28)22-14-20-12-13-37(29(20)32-18-22)41(39,40)26-10-2-1-3-11-26;24-18-5-4-6-19(12-18)28-22-13-21(26-15-27-22)17-11-16-9-10-29(23(16)25-14-17)32(30,31)20-7-2-1-3-8-20;18-16-9-15(20-11-21-16)13-8-12-6-7-22(17(12)19-10-13)25(23,24)14-4-2-1-3-5-14;1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15;7-5-2-1-3-6(8)4-5;1-7(2)5-3-4-6(8)9;;/h3-5,7-8,11-16,18-19,21-24,26,28H,6,9-10,17,20H2,1-2H3,(H,41,45)(H,42,46)(H,38,39,40);4-6,8,11-17,19-22,24,26H,7,9-10,18H2,1-3H3,(H,40,43)(H,41,44)(H,37,38,39);4-5,8-12,14,16-19,21,23H,3,6-7,13,15H2,1-2H3,(H,31,32)(H,36,39)(H,37,40)(H,33,34,35);1-3,5,8-14,16-19,21,23H,4,6-7,15,31H2,(H,36,38)(H,33,34,35);1-15H,24H2,(H,26,27,28);1-11H;8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15);1-4H,7-8H2;3-4H,5H2,1-2H3,(H,8,9);2*1H/b15-8+;;10-5+;;;;;;4-3+
• InChIKey: YGIVAJJPRGLBQZ-FGFPKGIESA-N
• XLogP: 32.60
• TPSA: 942.97 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 57
• Rotatable Bonds: 48
• Heavy Atoms: 271
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3819.79
LogP ≤ 5	32.60
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride?

The IUPAC name of 3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride (CID 157214043) is 3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride.

What is the SMILES notation for 3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride?

The canonical SMILES for 3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride is CC(C)(C)OC(=O)NC1CCCC(C(=O)Nc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)C1.CC(C)(C)OC(=O)NC1CCCC(C(=O)O)C1.CN(C)C/C=C/C(=O)NC1CCCC(C(=O)Nc2cccc(Nc3cc(-c4cnc5[nH]ccc5c4)ncn3)c2)C1.CN(C)C/C=C/C(=O)NC1CCCC(C(=O)Nc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)C1.CN(C)C/C=C/C(=O)O.Cl.Cl.NC1CCCC(C(=O)Nc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)C1.Nc1cccc(N)c1.Nc1cccc(Nc2cc(-c3cnc4c(ccn4S(=O)(=O)c4ccccc4)c3)ncn2)c1.O=S(=O)(c1ccccc1)n1ccc2cc(-c3cc(Cl)ncn3)cnc21.

What is the InChIKey of 3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride?

The InChIKey is YGIVAJJPRGLBQZ-FGFPKGIESA-N. The full InChI is InChI=1S/C36H38N8O4S.C35H37N7O5S.C30H34N8O2.C30H29N7O3S.C23H18N6O2S.C17H11ClN4O2S.C12H21NO4.C6H8N2.C6H11NO2.2ClH/c1-43(2)17-8-15-34(45)41-28-10-6-9-26(20-28)36(46)42-30-12-7-11-29(21-30)40-33-22-32(38-24-39-33)27-19-25-16-18-44(35(25)37-23-27)49(47,48)31-13-4-3-5-14-31;1-35(2,3)47-34(44)41-26-10-7-9-24(18-26)33(43)40-28-12-8-11-27(19-28)39-31-20-30(37-22-38-31)25-17-23-15-16-42(32(23)36-21-25)48(45,46)29-13-5-4-6-14-29;1-38(2)13-5-10-28(39)36-23-7-3-6-21(15-23)30(40)37-25-9-4-8-24(16-25)35-27-17-26(33-19-34-27)22-14-20-11-12-31-29(20)32-18-22;31-23-7-4-6-21(15-23)30(38)36-25-9-5-8-24(16-25)35-28-17-27(33-19-34-28)22-14-20-12-13-37(29(20)32-18-22)41(39,40)26-10-2-1-3-11-26;24-18-5-4-6-19(12-18)28-22-13-21(26-15-27-22)17-11-16-9-10-29(23(16)25-14-17)32(30,31)20-7-2-1-3-8-20;18-16-9-15(20-11-21-16)13-8-12-6-7-22(17(12)19-10-13)25(23,24)14-4-2-1-3-5-14;1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15;7-5-2-1-3-6(8)4-5;1-7(2)5-3-4-6(8)9;;/h3-5,7-8,11-16,18-19,21-24,26,28H,6,9-10,17,20H2,1-2H3,(H,41,45)(H,42,46)(H,38,39,40);4-6,8,11-17,19-22,24,26H,7,9-10,18H2,1-3H3,(H,40,43)(H,41,44)(H,37,38,39);4-5,8-12,14,16-19,21,23H,3,6-7,13,15H2,1-2H3,(H,31,32)(H,36,39)(H,37,40)(H,33,34,35);1-3,5,8-14,16-19,21,23H,4,6-7,15,31H2,(H,36,38)(H,33,34,35);1-15H,24H2,(H,26,27,28);1-11H;8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15);1-4H,7-8H2;3-4H,5H2,1-2H3,(H,8,9);2*1H/b15-8+;;10-5+;;;;;;4-3+;;.

What are the key properties of 3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride?

3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride has a molecular weight of 3819.79 g/mol, XLogP of 32.60, 48 rotatable bonds, 20 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride is sourced from PubChem (CID 157214043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).