[(1R,3S,5S)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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

C144H173Br4Cl3N30O20S2 — CID 159201568

About [(1R,3S,5S)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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 159201568) has the molecular formula C144H173Br4Cl3N30O20S2 and a molecular weight of 3134.27 g/mol. Its IUPAC name is [(1R,3S,5S)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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: 159201568
• Molecular Formula: C144H173Br4Cl3N30O20S2
• Molecular Weight: 3134.27 g/mol
• Exact Mass: 3126.87
• IUPAC Name: [(1R,3S,5S)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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=CCCCCNC.C=CCc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(CO)C[C@H]2N1.CS(=O)(=O)Cl.Cl.Cl.[H]/N=C(\C(C)=O)c1cc(-c2cnc(C)nc2)cc(C)c1NCC(=O)N1[C@H](C(=O)Nc2nc(Br)ccc2CC=C)C[C@@]2(CN(C)CCCCC=C)C[C@@H]12.[H]/N=C(\C(C)=O)c1cc(-c2cnc(C)nc2)cc(C)c1NCC(=O)N1[C@H](C(=O)Nc2nc(Br)ccc2CC=C)C[C@@]2(CO)C[C@@H]12.[H]/N=C(\C(C)=O)c1cc(-c2cnc(C)nc2)cc(C)c1NCC(=O)N1[C@H](C(=O)Nc2nc(Br)ccc2CC=C)C[C@@]2(COS(C)(=O)=O)C[C@@H]12.[H]/N=C(\C(C)=O)c1cc(-c2cnc(C)nc2)cc(C)c1NCC(=O)O
• InChI: InChI=1S/C39H47BrN8O3.C33H36BrN7O6S.C32H34BrN7O4.C17H18N4O3.C15H18BrN3O2.C7H15N.CH3ClO2S.2ClH/c1-7-9-10-11-15-47(6)23-39-18-31(38(51)46-37-27(12-8-2)13-14-33(40)45-37)48(32(39)19-39)34(50)22-44-36-24(3)16-28(17-30(36)35(41)25(4)49)29-20-42-26(5)43-21-29;1-6-7-21-8-9-27(34)39-31(21)40-32(44)25-12-33(17-47-48(5,45)46)13-26(33)41(25)28(43)16-38-30-18(2)10-22(11-24(30)29(35)19(3)42)23-14-36-20(4)37-15-23;1-5-6-20-7-8-26(33)38-30(20)39-31(44)24-11-32(16-41)12-25(32)40(24)27(43)15-37-29-17(2)9-21(10-23(29)28(34)18(3)42)22-13-35-19(4)36-14-22;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;;/h7-8,13-14,16-17,20-21,31-32,41,44H,1-2,9-12,15,18-19,22-23H2,3-6H3,(H,45,46,51);6,8-11,14-15,25-26,35,38H,1,7,12-13,16-17H2,2-5H3,(H,39,40,44);5,7-10,13-14,24-25,34,37,41H,1,6,11-12,15-16H2,2-4H3,(H,38,39,44);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/b41-35+;35-29+;34-28+;18-16+;;;;;/t31-,32+,39-;25-,26+,33-;24-,25+,32-;;10-,11+,15-;;;;/m000.0..../s1
• InChIKey: LFMMZALUZWYTOM-NCHUAUNESA-N
• XLogP: 20.73
• TPSA: 726.38 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 42
• Rotatable Bonds: 57
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3134.27
LogP ≤ 5	20.73
H-Bond Donors ≤ 5	17
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)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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 159201568) is [(1R,3S,5S)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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=CCCCCNC.C=CCc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(CO)C[C@H]2N1.CS(=O)(=O)Cl.Cl.Cl.[H]/N=C(\C(C)=O)c1cc(-c2cnc(C)nc2)cc(C)c1NCC(=O)N1[C@H](C(=O)Nc2nc(Br)ccc2CC=C)C[C@@]2(CN(C)CCCCC=C)C[C@@H]12.[H]/N=C(\C(C)=O)c1cc(-c2cnc(C)nc2)cc(C)c1NCC(=O)N1[C@H](C(=O)Nc2nc(Br)ccc2CC=C)C[C@@]2(CO)C[C@@H]12.[H]/N=C(\C(C)=O)c1cc(-c2cnc(C)nc2)cc(C)c1NCC(=O)N1[C@H](C(=O)Nc2nc(Br)ccc2CC=C)C[C@@]2(COS(C)(=O)=O)C[C@@H]12.[H]/N=C(\C(C)=O)c1cc(-c2cnc(C)nc2)cc(C)c1NCC(=O)O.

What is the InChIKey of [(1R,3S,5S)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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 LFMMZALUZWYTOM-NCHUAUNESA-N. The full InChI is InChI=1S/C39H47BrN8O3.C33H36BrN7O6S.C32H34BrN7O4.C17H18N4O3.C15H18BrN3O2.C7H15N.CH3ClO2S.2ClH/c1-7-9-10-11-15-47(6)23-39-18-31(38(51)46-37-27(12-8-2)13-14-33(40)45-37)48(32(39)19-39)34(50)22-44-36-24(3)16-28(17-30(36)35(41)25(4)49)29-20-42-26(5)43-21-29;1-6-7-21-8-9-27(34)39-31(21)40-32(44)25-12-33(17-47-48(5,45)46)13-26(33)41(25)28(43)16-38-30-18(2)10-22(11-24(30)29(35)19(3)42)23-14-36-20(4)37-15-23;1-5-6-20-7-8-26(33)38-30(20)39-31(44)24-11-32(16-41)12-25(32)40(24)27(43)15-37-29-17(2)9-21(10-23(29)28(34)18(3)42)22-13-35-19(4)36-14-22;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;;/h7-8,13-14,16-17,20-21,31-32,41,44H,1-2,9-12,15,18-19,22-23H2,3-6H3,(H,45,46,51);6,8-11,14-15,25-26,35,38H,1,7,12-13,16-17H2,2-5H3,(H,39,40,44);5,7-10,13-14,24-25,34,37,41H,1,6,11-12,15-16H2,2-4H3,(H,38,39,44);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/b41-35+;35-29+;34-28+;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)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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 3134.27 g/mol, XLogP of 20.73, 57 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3S,5S)-3-[(6-bromo-3-prop-2-enyl-2-pyridinyl)carbamoyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl methanesulfonate;(1R,3S,5R)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-[[hex-5-enyl(methyl)amino]methyl]-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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;(1R,3S,5S)-N-(6-bromo-3-prop-2-enyl-2-pyridinyl)-5-(hydroxymethyl)-2-[2-[2-methyl-4-(2-methylpyrimidin-5-yl)-6-(2-oxopropanimidoyl)anilino]acetyl]-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 159201568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).