[(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride

C144H167Br4Cl3N30O20S2 — CID 162229389

About [(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride

[(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride (PubChem CID 162229389) has the molecular formula C144H167Br4Cl3N30O20S2 and a molecular weight of 3128.22 g/mol. Its IUPAC name is [(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride.

Molecular Properties

• Compound Name: [(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride
• PubChem CID: 162229389
• Molecular Formula: C144H167Br4Cl3N30O20S2
• Molecular Weight: 3128.22 g/mol
• Exact Mass: 3120.82
• IUPAC Name: [(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride
• SMILES: C=CCCCCN(C)C[C@@]12C[C@@H](C(=O)Nc3nc(Br)ccc3CC=C)N(C(=O)Cn3nc(C(C)=O)c4cc(-c5cnc(C)nc5)cc(C)c43)[C@@H]1C2.C=CCCCCNC.C=CCc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(CO)C[C@H]2N1.C=CCc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(CO)C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(-c3cnc(C)nc3)cc(C)c21.C=CCc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(COS(C)(=O)=O)C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(-c3cnc(C)nc3)cc(C)c21.CS(=O)(=O)Cl.Cl.Cl.[H]/N=C(\C(C)=O)c1cc(-c2cnc(C)nc2)cc(C)c1NCC(=O)O
• InChI: InChI=1S/C39H45BrN8O3.C33H34BrN7O6S.C32H32BrN7O4.C17H18N4O3.C15H18BrN3O2.C7H15N.CH3ClO2S.2ClH/c1-7-9-10-11-15-46(6)23-39-18-31(38(51)44-37-27(12-8-2)13-14-33(40)43-37)48(32(39)19-39)34(50)22-47-36-24(3)16-28(29-20-41-26(5)42-21-29)17-30(36)35(45-47)25(4)49;1-6-7-21-8-9-27(34)37-31(21)38-32(44)25-12-33(17-47-48(5,45)46)13-26(33)41(25)28(43)16-40-30-18(2)10-22(23-14-35-20(4)36-15-23)11-24(30)29(39-40)19(3)42;1-5-6-20-7-8-26(33)36-30(20)37-31(44)24-11-32(16-41)12-25(32)40(24)27(43)15-39-29-17(2)9-21(22-13-34-19(4)35-14-22)10-23(29)28(38-39)18(3)42;1-9-4-12(13-6-19-11(3)20-7-13)5-14(16(18)10(2)22)17(9)21-8-15(23)24;1-2-3-9-4-5-12(16)18-13(9)19-14(21)10-6-15(8-20)7-11(15)17-10;1-3-4-5-6-7-8-2;1-5(2,3)4;;/h7-8,13-14,16-17,20-21,31-32H,1-2,9-12,15,18-19,22-23H2,3-6H3,(H,43,44,51);6,8-11,14-15,25-26H,1,7,12-13,16-17H2,2-5H3,(H,37,38,44);5,7-10,13-14,24-25,41H,1,6,11-12,15-16H2,2-4H3,(H,36,37,44);4-7,18,21H,8H2,1-3H3,(H,23,24);2,4-5,10-11,17,20H,1,3,6-8H2,(H,18,19,21);3,8H,1,4-7H2,2H3;1H3;2*1H/b;;;18-16+;;;;;/t31-,32+,39-;25-,26+,33-;24-,25+,32-;;10-,11+,15-;;;;/m000.0..../s1
• InChIKey: NZTVUBDUJCVHPG-BUSDRTFXSA-N
• XLogP: 21.28
• TPSA: 672.20 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 51
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3128.22
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride?

The IUPAC name of [(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride (CID 162229389) is [(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride.

What is the SMILES notation for [(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride?

The canonical SMILES for [(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride is C=CCCCCN(C)C[C@@]12C[C@@H](C(=O)Nc3nc(Br)ccc3CC=C)N(C(=O)Cn3nc(C(C)=O)c4cc(-c5cnc(C)nc5)cc(C)c43)[C@@H]1C2.C=CCCCCNC.C=CCc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(CO)C[C@H]2N1.C=CCc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(CO)C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(-c3cnc(C)nc3)cc(C)c21.C=CCc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(COS(C)(=O)=O)C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(-c3cnc(C)nc3)cc(C)c21.CS(=O)(=O)Cl.Cl.Cl.[H]/N=C(\C(C)=O)c1cc(-c2cnc(C)nc2)cc(C)c1NCC(=O)O.

What is the InChIKey of [(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride?

The InChIKey is NZTVUBDUJCVHPG-BUSDRTFXSA-N. The full InChI is InChI=1S/C39H45BrN8O3.C33H34BrN7O6S.C32H32BrN7O4.C17H18N4O3.C15H18BrN3O2.C7H15N.CH3ClO2S.2ClH/c1-7-9-10-11-15-46(6)23-39-18-31(38(51)44-37-27(12-8-2)13-14-33(40)43-37)48(32(39)19-39)34(50)22-47-36-24(3)16-28(29-20-41-26(5)42-21-29)17-30(36)35(45-47)25(4)49;1-6-7-21-8-9-27(34)37-31(21)38-32(44)25-12-33(17-47-48(5,45)46)13-26(33)41(25)28(43)16-40-30-18(2)10-22(23-14-35-20(4)36-15-23)11-24(30)29(39-40)19(3)42;1-5-6-20-7-8-26(33)36-30(20)37-31(44)24-11-32(16-41)12-25(32)40(24)27(43)15-39-29-17(2)9-21(22-13-34-19(4)35-14-22)10-23(29)28(38-39)18(3)42;1-9-4-12(13-6-19-11(3)20-7-13)5-14(16(18)10(2)22)17(9)21-8-15(23)24;1-2-3-9-4-5-12(16)18-13(9)19-14(21)10-6-15(8-20)7-11(15)17-10;1-3-4-5-6-7-8-2;1-5(2,3)4;;/h7-8,13-14,16-17,20-21,31-32H,1-2,9-12,15,18-19,22-23H2,3-6H3,(H,43,44,51);6,8-11,14-15,25-26H,1,7,12-13,16-17H2,2-5H3,(H,37,38,44);5,7-10,13-14,24-25,41H,1,6,11-12,15-16H2,2-4H3,(H,36,37,44);4-7,18,21H,8H2,1-3H3,(H,23,24);2,4-5,10-11,17,20H,1,3,6-8H2,(H,18,19,21);3,8H,1,4-7H2,2H3;1H3;2*1H/b;;;18-16+;;;;;/t31-,32+,39-;25-,26+,33-;24-,25+,32-;;10-,11+,15-;;;;/m000.0..../s1.

What are the key properties of [(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride?

[(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride has a molecular weight of 3128.22 g/mol, XLogP of 21.28, 51 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonyl chloride;N-methylhex-5-en-1-amine;2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetic acid;dihydrochloride is sourced from PubChem (CID 162229389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).