5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid

C142H160B2Br2Cl3N23O23 — CID 157188258

About 5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid

5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid (PubChem CID 157188258) has the molecular formula C142H160B2Br2Cl3N23O23 and a molecular weight of 2844.77 g/mol. Its IUPAC name is 5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid.

Molecular Properties

• Compound Name: 5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
• PubChem CID: 157188258
• Molecular Formula: C142H160B2Br2Cl3N23O23
• Molecular Weight: 2844.77 g/mol
• Exact Mass: 2839.97
• IUPAC Name: 5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
• SMILES: C.C.C.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnc(Cl)c(Br)c1.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O.Cc1[nH]nc2ccc(-c3cc(NC(=O)[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)cnc3-c3ccoc3)cc12.Cc1[nH]nc2ccc(-c3cc(NC(=O)[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)cnc3-c3ccoc3)cc12.Cc1[nH]nc2ccc(-c3cc(NC(=O)[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)cnc3Cl)cc12.Cc1[nH]nc2ccc(B(O)O)cc12.Nc1cnc(Cl)c(Br)c1.OB(O)c1ccoc1
• InChI: InChI=1S/2C31H31N5O4.C27H28ClN5O3.C19H21BrClN3O3.C14H19NO4.C8H9BN2O2.C5H4BrClN2.C4H5BO3.3CH4/c2*1-19-24-15-21(10-11-26(24)36-35-19)25-16-23(17-32-28(25)22-12-13-39-18-22)33-29(37)27(14-20-8-6-5-7-9-20)34-30(38)40-31(2,3)4;1-16-20-13-18(10-11-22(20)33-32-16)21-14-19(15-29-24(21)28)30-25(34)23(12-17-8-6-5-7-9-17)31-26(35)36-27(2,3)4;1-19(2,3)27-18(26)24-15(9-12-7-5-4-6-8-12)17(25)23-13-10-14(20)16(21)22-11-13;1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;1-5-7-4-6(9(12)13)2-3-8(7)11-10-5;6-4-1-3(8)2-9-5(4)7;6-5(7)4-1-2-8-3-4;;;/h2*5-13,15-18,27H,14H2,1-4H3,(H,33,37)(H,34,38)(H,35,36);5-11,13-15,23H,12H2,1-4H3,(H,30,34)(H,31,35)(H,32,33);4-8,10-11,15H,9H2,1-3H3,(H,23,25)(H,24,26);4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);2-4,12-13H,1H3,(H,10,11);1-2H,8H2;1-3,6-7H;3*1H4/t2*27-;23-;15-;11-;;;;;;/m00000....../s1
• InChIKey: APJOTFLLVCZASW-VRCKXLSZSA-N
• XLogP: 27.47
• TPSA: 670.88 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2844.77
LogP ≤ 5	27.47
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid?

The IUPAC name of 5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid (CID 157188258) is 5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid.

What is the SMILES notation for 5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid?

The canonical SMILES for 5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid is C.C.C.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnc(Cl)c(Br)c1.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O.Cc1[nH]nc2ccc(-c3cc(NC(=O)[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)cnc3-c3ccoc3)cc12.Cc1[nH]nc2ccc(-c3cc(NC(=O)[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)cnc3-c3ccoc3)cc12.Cc1[nH]nc2ccc(-c3cc(NC(=O)[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)cnc3Cl)cc12.Cc1[nH]nc2ccc(B(O)O)cc12.Nc1cnc(Cl)c(Br)c1.OB(O)c1ccoc1.

What is the InChIKey of 5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid?

The InChIKey is APJOTFLLVCZASW-VRCKXLSZSA-N. The full InChI is InChI=1S/2C31H31N5O4.C27H28ClN5O3.C19H21BrClN3O3.C14H19NO4.C8H9BN2O2.C5H4BrClN2.C4H5BO3.3CH4/c2*1-19-24-15-21(10-11-26(24)36-35-19)25-16-23(17-32-28(25)22-12-13-39-18-22)33-29(37)27(14-20-8-6-5-7-9-20)34-30(38)40-31(2,3)4;1-16-20-13-18(10-11-22(20)33-32-16)21-14-19(15-29-24(21)28)30-25(34)23(12-17-8-6-5-7-9-17)31-26(35)36-27(2,3)4;1-19(2,3)27-18(26)24-15(9-12-7-5-4-6-8-12)17(25)23-13-10-14(20)16(21)22-11-13;1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;1-5-7-4-6(9(12)13)2-3-8(7)11-10-5;6-4-1-3(8)2-9-5(4)7;6-5(7)4-1-2-8-3-4;;;/h2*5-13,15-18,27H,14H2,1-4H3,(H,33,37)(H,34,38)(H,35,36);5-11,13-15,23H,12H2,1-4H3,(H,30,34)(H,31,35)(H,32,33);4-8,10-11,15H,9H2,1-3H3,(H,23,25)(H,24,26);4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);2-4,12-13H,1H3,(H,10,11);1-2H,8H2;1-3,6-7H;3*1H4/t2*27-;23-;15-;11-;;;;;;/m00000....../s1.

What are the key properties of 5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid?

5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid has a molecular weight of 2844.77 g/mol, XLogP of 27.47, 31 rotatable bonds, 19 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 157188258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).