potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

C130H147Cl5KN37O20S4 — CID 158132956

About potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (PubChem CID 158132956) has the molecular formula C130H147Cl5KN37O20S4 and a molecular weight of 2892.48 g/mol. Its IUPAC name is potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
• PubChem CID: 158132956
• Molecular Formula: C130H147Cl5KN37O20S4
• Molecular Weight: 2892.48 g/mol
• Exact Mass: 2887.86
• IUPAC Name: potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
• SMILES: CC(C)(C)OC(=O)N1CCC(N)CC1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCN(C(=O)CC#N)CC4)nc(Nc4ccc(C(N)=O)cc4)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCN(C(=O)OC(C)(C)C)CC4)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCNCC4)nc(Nc4ccc(C(N)=O)cc4)nc32)cc1.NC(=O)c1ccc(N)cc1.NC(=O)c1ccc(Nc2nc(NC3CCNCC3)c3cc[nH]c3n2)cc1.[C-]#[N+]CC(=O)Cl.[C-]#[N+]CC(=O)Cl.[K+].[NH-]O
• InChI: InChI=1S/C28H28N8O4S.C25H27N7O3S.C23H28ClN5O4S.C18H21N7O.C13H9Cl2N3O2S.C10H20N2O2.C7H8N2O.2C3H2ClNO.K.H2NO/c1-18-2-8-22(9-3-18)41(39,40)36-17-13-23-26(31-21-11-15-35(16-12-21)24(37)10-14-29)33-28(34-27(23)36)32-20-6-4-19(5-7-20)25(30)38;1-16-2-8-20(9-3-16)36(34,35)32-15-12-21-23(28-19-10-13-27-14-11-19)30-25(31-24(21)32)29-18-6-4-17(5-7-18)22(26)33;1-15-5-7-17(8-6-15)34(31,32)29-14-11-18-19(26-21(24)27-20(18)29)25-16-9-12-28(13-10-16)22(30)33-23(2,3)4;19-15(26)11-1-3-12(4-2-11)23-18-24-16-14(7-10-21-16)17(25-18)22-13-5-8-20-9-6-13;1-8-2-4-9(5-3-8)21(19,20)18-7-6-10-11(14)16-13(15)17-12(10)18;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;8-6-3-1-5(2-4-6)7(9)10;2*1-5-2-3(4)6;;1-2/h2-9,13,17,21H,10-12,15-16H2,1H3,(H2,30,38)(H2,31,32,33,34);2-9,12,15,19,27H,10-11,13-14H2,1H3,(H2,26,33)(H2,28,29,30,31);5-8,11,14,16H,9-10,12-13H2,1-4H3,(H,25,26,27);1-4,7,10,13,20H,5-6,8-9H2,(H2,19,26)(H3,21,22,23,24,25);2-7H,1H3;8H,4-7,11H2,1-3H3;1-4H,8H2,(H2,9,10);2*2H2;;1-2H/q;;;;;;;;;+1;-1
• InChIKey: FSZSVQQVUKEVSO-UHFFFAOYSA-N
• XLogP: 16.29
• TPSA: 823.71 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 46
• Rotatable Bonds: 29
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2892.48
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The IUPAC name of potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (CID 158132956) is potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

What is the SMILES notation for potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The canonical SMILES for potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is CC(C)(C)OC(=O)N1CCC(N)CC1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCN(C(=O)CC#N)CC4)nc(Nc4ccc(C(N)=O)cc4)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCN(C(=O)OC(C)(C)C)CC4)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCNCC4)nc(Nc4ccc(C(N)=O)cc4)nc32)cc1.NC(=O)c1ccc(N)cc1.NC(=O)c1ccc(Nc2nc(NC3CCNCC3)c3cc[nH]c3n2)cc1.[C-]#[N+]CC(=O)Cl.[C-]#[N+]CC(=O)Cl.[K+].[NH-]O.

What is the InChIKey of potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The InChIKey is FSZSVQQVUKEVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O4S.C25H27N7O3S.C23H28ClN5O4S.C18H21N7O.C13H9Cl2N3O2S.C10H20N2O2.C7H8N2O.2C3H2ClNO.K.H2NO/c1-18-2-8-22(9-3-18)41(39,40)36-17-13-23-26(31-21-11-15-35(16-12-21)24(37)10-14-29)33-28(34-27(23)36)32-20-6-4-19(5-7-20)25(30)38;1-16-2-8-20(9-3-16)36(34,35)32-15-12-21-23(28-19-10-13-27-14-11-19)30-25(31-24(21)32)29-18-6-4-17(5-7-18)22(26)33;1-15-5-7-17(8-6-15)34(31,32)29-14-11-18-19(26-21(24)27-20(18)29)25-16-9-12-28(13-10-16)22(30)33-23(2,3)4;19-15(26)11-1-3-12(4-2-11)23-18-24-16-14(7-10-21-16)17(25-18)22-13-5-8-20-9-6-13;1-8-2-4-9(5-3-8)21(19,20)18-7-6-10-11(14)16-13(15)17-12(10)18;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;8-6-3-1-5(2-4-6)7(9)10;2*1-5-2-3(4)6;;1-2/h2-9,13,17,21H,10-12,15-16H2,1H3,(H2,30,38)(H2,31,32,33,34);2-9,12,15,19,27H,10-11,13-14H2,1H3,(H2,26,33)(H2,28,29,30,31);5-8,11,14,16H,9-10,12-13H2,1-4H3,(H,25,26,27);1-4,7,10,13,20H,5-6,8-9H2,(H2,19,26)(H3,21,22,23,24,25);2-7H,1H3;8H,4-7,11H2,1-3H3;1-4H,8H2,(H2,9,10);2*2H2;;1-2H/q;;;;;;;;;+1;-1.

What are the key properties of potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide has a molecular weight of 2892.48 g/mol, XLogP of 16.29, 29 rotatable bonds, 17 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 158132956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).