2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid

C124H128Br4F4N24O18 — CID 159057315

About 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid

2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid (PubChem CID 159057315) has the molecular formula C124H128Br4F4N24O18 and a molecular weight of 2638.15 g/mol. Its IUPAC name is 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid.

Molecular Properties

• Compound Name: 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid
• PubChem CID: 159057315
• Molecular Formula: C124H128Br4F4N24O18
• Molecular Weight: 2638.15 g/mol
• Exact Mass: 2632.65
• IUPAC Name: 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid
• SMILES: CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(CNC(=O)c4ccccc4F)C[C@@H]23)c2c(C)cc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)O)c2c(C)cc(-c3cnc(C)nc3)cc12.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(CN)C[C@H]2N1C(=O)OC(C)(C)C.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(CNC(=O)c3ccccc3F)C[C@H]2N1.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(CNC(=O)c3ccccc3F)C[C@H]2N1C(=O)OC(C)(C)C.O=C(O)c1ccccc1F
• InChI: InChI=1S/C37H34BrFN8O4.C25H28BrFN4O4.C20H20BrFN4O2.C18H25BrN4O3.C17H16N4O3.C7H5FO2/c1-19-9-10-30(38)43-34(19)44-36(51)28-13-37(18-42-35(50)25-7-5-6-8-27(25)39)14-29(37)47(28)31(49)17-46-33-20(2)11-23(24-15-40-22(4)41-16-24)12-26(33)32(45-46)21(3)48;1-14-9-10-19(26)29-20(14)30-22(33)17-11-25(12-18(25)31(17)23(34)35-24(2,3)4)13-28-21(32)15-7-5-6-8-16(15)27;1-11-6-7-16(21)25-17(11)26-19(28)14-8-20(9-15(20)24-14)10-23-18(27)12-4-2-3-5-13(12)22;1-10-5-6-13(19)21-14(10)22-15(24)11-7-18(9-20)8-12(18)23(11)16(25)26-17(2,3)4;1-9-4-12(13-6-18-11(3)19-7-13)5-14-16(10(2)22)20-21(17(9)14)8-15(23)24;8-6-4-2-1-3-5(6)7(9)10/h5-12,15-16,28-29H,13-14,17-18H2,1-4H3,(H,42,50)(H,43,44,51);5-10,17-18H,11-13H2,1-4H3,(H,28,32)(H,29,30,33);2-7,14-15,24H,8-10H2,1H3,(H,23,27)(H,25,26,28);5-6,11-12H,7-9,20H2,1-4H3,(H,21,22,24);4-7H,8H2,1-3H3,(H,23,24);1-4H,(H,9,10)/t28-,29+,37-;17-,18+,25-;14-,15+,20-;11-,12+,18-;;/m0000../s1
• InChIKey: JYACWXYLZDUINB-OPEDGVCWSA-N
• XLogP: 19.29
• TPSA: 568.64 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2638.15
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid?

The IUPAC name of 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid (CID 159057315) is 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid.

What is the SMILES notation for 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid?

The canonical SMILES for 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid is CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(CNC(=O)c4ccccc4F)C[C@@H]23)c2c(C)cc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)O)c2c(C)cc(-c3cnc(C)nc3)cc12.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(CN)C[C@H]2N1C(=O)OC(C)(C)C.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(CNC(=O)c3ccccc3F)C[C@H]2N1.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(CNC(=O)c3ccccc3F)C[C@H]2N1C(=O)OC(C)(C)C.O=C(O)c1ccccc1F.

What is the InChIKey of 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid?

The InChIKey is JYACWXYLZDUINB-OPEDGVCWSA-N. The full InChI is InChI=1S/C37H34BrFN8O4.C25H28BrFN4O4.C20H20BrFN4O2.C18H25BrN4O3.C17H16N4O3.C7H5FO2/c1-19-9-10-30(38)43-34(19)44-36(51)28-13-37(18-42-35(50)25-7-5-6-8-27(25)39)14-29(37)47(28)31(49)17-46-33-20(2)11-23(24-15-40-22(4)41-16-24)12-26(33)32(45-46)21(3)48;1-14-9-10-19(26)29-20(14)30-22(33)17-11-25(12-18(25)31(17)23(34)35-24(2,3)4)13-28-21(32)15-7-5-6-8-16(15)27;1-11-6-7-16(21)25-17(11)26-19(28)14-8-20(9-15(20)24-14)10-23-18(27)12-4-2-3-5-13(12)22;1-10-5-6-13(19)21-14(10)22-15(24)11-7-18(9-20)8-12(18)23(11)16(25)26-17(2,3)4;1-9-4-12(13-6-18-11(3)19-7-13)5-14-16(10(2)22)20-21(17(9)14)8-15(23)24;8-6-4-2-1-3-5(6)7(9)10/h5-12,15-16,28-29H,13-14,17-18H2,1-4H3,(H,42,50)(H,43,44,51);5-10,17-18H,11-13H2,1-4H3,(H,28,32)(H,29,30,33);2-7,14-15,24H,8-10H2,1H3,(H,23,27)(H,25,26,28);5-6,11-12H,7-9,20H2,1-4H3,(H,21,22,24);4-7H,8H2,1-3H3,(H,23,24);1-4H,(H,9,10)/t28-,29+,37-;17-,18+,25-;14-,15+,20-;11-,12+,18-;;/m0000../s1.

What are the key properties of 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid?

2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid has a molecular weight of 2638.15 g/mol, XLogP of 19.29, 27 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-5-[[(2-fluorobenzoyl)amino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-fluorobenzoic acid is sourced from PubChem (CID 159057315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).