sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid

C152H161BClF15N29NaO19S4 — CID 158059254

About sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid

sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid (PubChem CID 158059254) has the molecular formula C152H161BClF15N29NaO19S4 and a molecular weight of 3180.64 g/mol. Its IUPAC name is sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid.

Molecular Properties

• Compound Name: sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid
• PubChem CID: 158059254
• Molecular Formula: C152H161BClF15N29NaO19S4
• Molecular Weight: 3180.64 g/mol
• Exact Mass: 3178.08
• IUPAC Name: sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](Nc2nc(Cl)ncc2F)C1.C[O-].Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(N[C@H]4CCC[C@@H](CC(=O)c5cncn5C)C4)n3)c3cc(F)cc(F)c32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(N[C@H]4CCC[C@@H](N)C4)n3)c3cc(F)cc(F)c32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(N[C@H]4CCC[C@@H](NC(=O)OC(C)(C)C)C4)n3)c3cc(F)cc(F)c32)cc1.Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cc(F)cc(F)c32)cc1.Cn1cncc1C(=O)C[C@@H]1CCC[C@H](Nc2nc(-c3c[nH]c4c(F)cc(F)cc34)ncc2F)C1.Cn1cncc1C(=O)O.[Na+]
• InChI: InChI=1S/C31H29F3N6O3S.C30H32F3N5O4S.C25H24F3N5O2S.C24H23F3N6O.C21H22BF2NO4S.C15H22ClFN4O2.C5H6N2O2.CH3O.Na/c1-18-6-8-22(9-7-18)44(42,43)40-16-24(23-12-20(32)13-25(33)29(23)40)30-36-14-26(34)31(38-30)37-21-5-3-4-19(10-21)11-28(41)27-15-35-17-39(27)2;1-17-8-10-21(11-9-17)43(40,41)38-16-23(22-12-18(31)13-24(32)26(22)38)27-34-15-25(33)28(37-27)35-19-6-5-7-20(14-19)36-29(39)42-30(2,3)4;1-14-5-7-18(8-6-14)36(34,35)33-13-20(19-9-15(26)10-21(27)23(19)33)24-30-12-22(28)25(32-24)31-17-4-2-3-16(29)11-17;1-33-12-28-11-20(33)21(34)6-13-3-2-4-15(5-13)31-24-19(27)10-30-23(32-24)17-9-29-22-16(17)7-14(25)8-18(22)26;1-13-6-8-15(9-7-13)30(26,27)25-12-17(16-10-14(23)11-18(24)19(16)25)22-28-20(2,3)21(4,5)29-22;1-15(2,3)23-14(22)20-10-6-4-5-9(7-10)19-12-11(17)8-18-13(16)21-12;1-7-3-6-2-4(7)5(8)9;1-2;/h6-9,12-17,19,21H,3-5,10-11H2,1-2H3,(H,36,37,38);8-13,15-16,19-20H,5-7,14H2,1-4H3,(H,36,39)(H,34,35,37);5-10,12-13,16-17H,2-4,11,29H2,1H3,(H,30,31,32);7-13,15,29H,2-6H2,1H3,(H,30,31,32);6-12H,1-5H3;8-10H,4-7H2,1-3H3,(H,20,22)(H,18,19,21);2-3H,1H3,(H,8,9);1H3;/q;;;;;;;-1;+1/t19-,21+;19-,20+;16-,17+;13-,15+;;9-,10+;;;/m1011.0.../s1
• InChIKey: FKLHCVLKCVZJON-PWBSIVDVSA-N
• XLogP: 25.49
• TPSA: 630.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 44
• Rotatable Bonds: 32
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3180.64
LogP ≤ 5	25.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid?

The IUPAC name of sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid (CID 158059254) is sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid.

What is the SMILES notation for sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid?

The canonical SMILES for sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid is CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](Nc2nc(Cl)ncc2F)C1.C[O-].Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(N[C@H]4CCC[C@@H](CC(=O)c5cncn5C)C4)n3)c3cc(F)cc(F)c32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(N[C@H]4CCC[C@@H](N)C4)n3)c3cc(F)cc(F)c32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(N[C@H]4CCC[C@@H](NC(=O)OC(C)(C)C)C4)n3)c3cc(F)cc(F)c32)cc1.Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cc(F)cc(F)c32)cc1.Cn1cncc1C(=O)C[C@@H]1CCC[C@H](Nc2nc(-c3c[nH]c4c(F)cc(F)cc34)ncc2F)C1.Cn1cncc1C(=O)O.[Na+].

What is the InChIKey of sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid?

The InChIKey is FKLHCVLKCVZJON-PWBSIVDVSA-N. The full InChI is InChI=1S/C31H29F3N6O3S.C30H32F3N5O4S.C25H24F3N5O2S.C24H23F3N6O.C21H22BF2NO4S.C15H22ClFN4O2.C5H6N2O2.CH3O.Na/c1-18-6-8-22(9-7-18)44(42,43)40-16-24(23-12-20(32)13-25(33)29(23)40)30-36-14-26(34)31(38-30)37-21-5-3-4-19(10-21)11-28(41)27-15-35-17-39(27)2;1-17-8-10-21(11-9-17)43(40,41)38-16-23(22-12-18(31)13-24(32)26(22)38)27-34-15-25(33)28(37-27)35-19-6-5-7-20(14-19)36-29(39)42-30(2,3)4;1-14-5-7-18(8-6-14)36(34,35)33-13-20(19-9-15(26)10-21(27)23(19)33)24-30-12-22(28)25(32-24)31-17-4-2-3-16(29)11-17;1-33-12-28-11-20(33)21(34)6-13-3-2-4-15(5-13)31-24-19(27)10-30-23(32-24)17-9-29-22-16(17)7-14(25)8-18(22)26;1-13-6-8-15(9-7-13)30(26,27)25-12-17(16-10-14(23)11-18(24)19(16)25)22-28-20(2,3)21(4,5)29-22;1-15(2,3)23-14(22)20-10-6-4-5-9(7-10)19-12-11(17)8-18-13(16)21-12;1-7-3-6-2-4(7)5(8)9;1-2;/h6-9,12-17,19,21H,3-5,10-11H2,1-2H3,(H,36,37,38);8-13,15-16,19-20H,5-7,14H2,1-4H3,(H,36,39)(H,34,35,37);5-10,12-13,16-17H,2-4,11,29H2,1H3,(H,30,31,32);7-13,15,29H,2-6H2,1H3,(H,30,31,32);6-12H,1-5H3;8-10H,4-7H2,1-3H3,(H,20,22)(H,18,19,21);2-3H,1H3,(H,8,9);1H3;/q;;;;;;;-1;+1/t19-,21+;19-,20+;16-,17+;13-,15+;;9-,10+;;;/m1011.0.../s1.

What are the key properties of sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid?

sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid has a molecular weight of 3180.64 g/mol, XLogP of 25.49, 32 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]carbamate;cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;2-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-1-(3-methylimidazol-4-yl)ethanone;5,7-difluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methanolate;3-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 158059254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).