bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C144H139Br3F4N38O15 — CID 158021591

About bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 158021591) has the molecular formula C144H139Br3F4N38O15 and a molecular weight of 2957.65 g/mol. Its IUPAC name is bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

• Compound Name: bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
• PubChem CID: 158021591
• Molecular Formula: C144H139Br3F4N38O15
• Molecular Weight: 2957.65 g/mol
• Exact Mass: 2952.88
• IUPAC Name: bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
• SMILES: CC(=O)c1nn(CC(=O)N2C[C@@](F)(CN(C)C)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2C[C@H]3C[C@H]3[C@H]2C(=O)Nc2nc(Br)ccc2C2CC2)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2C[C@H]3C[C@H]3[C@H]2C(=O)Nc2nc(Br)ccc2C2CC2)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3cncc(C(F)(F)F)n3)C[C@@]3(C)C[C@@H]23)c2ccc(-c3cnc(C)nc3)cc12.CCn1ccc(NC(=O)[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)Cn2nc(C(C)=O)c3cc(-c4cnc(C)nc4)ccc32)n1
• InChI: InChI=1S/2C30H28BrN7O3.C29H30BrFN8O3.C28H25F3N8O3.C27H28N8O3/c2*1-15(39)27-23-9-18(20-11-32-16(2)33-12-20)5-7-24(23)38(36-27)14-26(40)37-13-19-10-22(19)28(37)30(41)35-29-21(17-3-4-17)6-8-25(31)34-29;1-17(40)27-21-10-19(20-12-32-18(2)33-13-20)8-9-22(21)39(36-27)14-26(41)38-16-29(31,15-37(3)4)11-23(38)28(42)35-25-7-5-6-24(30)34-25;1-14(40)25-18-6-16(17-9-33-15(2)34-10-17)4-5-19(18)38(37-25)13-24(41)39-20(7-27(3)8-22(27)39)26(42)36-23-12-32-11-21(35-23)28(29,30)31;1-4-33-8-7-23(31-33)30-27(38)26-20-10-18(20)13-34(26)24(37)14-35-22-6-5-17(19-11-28-16(3)29-12-19)9-21(22)25(32-35)15(2)36/h2*5-9,11-12,17,19,22,28H,3-4,10,13-14H2,1-2H3,(H,34,35,41);5-10,12-13,23H,11,14-16H2,1-4H3,(H,34,35,42);4-6,9-12,20,22H,7-8,13H2,1-3H3,(H,35,36,42);5-9,11-12,18,20,26H,4,10,13-14H2,1-3H3,(H,30,31,38)/t2*19-,22-,28+;23-,29-;20-,22+,27-;18-,20-,26+/m11001/s1
• InChIKey: FGCXCPQMMPGSMF-MCEGQOPESA-N
• XLogP: 19.26
• TPSA: 635.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 35
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2957.65
LogP ≤ 5	19.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

The IUPAC name of bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 158021591) is bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

What is the SMILES notation for bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

The canonical SMILES for bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC(=O)c1nn(CC(=O)N2C[C@@](F)(CN(C)C)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2C[C@H]3C[C@H]3[C@H]2C(=O)Nc2nc(Br)ccc2C2CC2)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2C[C@H]3C[C@H]3[C@H]2C(=O)Nc2nc(Br)ccc2C2CC2)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3cncc(C(F)(F)F)n3)C[C@@]3(C)C[C@@H]23)c2ccc(-c3cnc(C)nc3)cc12.CCn1ccc(NC(=O)[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)Cn2nc(C(C)=O)c3cc(-c4cnc(C)nc4)ccc32)n1.

What is the InChIKey of bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

The InChIKey is FGCXCPQMMPGSMF-MCEGQOPESA-N. The full InChI is InChI=1S/2C30H28BrN7O3.C29H30BrFN8O3.C28H25F3N8O3.C27H28N8O3/c2*1-15(39)27-23-9-18(20-11-32-16(2)33-12-20)5-7-24(23)38(36-27)14-26(40)37-13-19-10-22(19)28(37)30(41)35-29-21(17-3-4-17)6-8-25(31)34-29;1-17(40)27-21-10-19(20-12-32-18(2)33-13-20)8-9-22(21)39(36-27)14-26(41)38-16-29(31,15-37(3)4)11-23(38)28(42)35-25-7-5-6-24(30)34-25;1-14(40)25-18-6-16(17-9-33-15(2)34-10-17)4-5-19(18)38(37-25)13-24(41)39-20(7-27(3)8-22(27)39)26(42)36-23-12-32-11-21(35-23)28(29,30)31;1-4-33-8-7-23(31-33)30-27(38)26-20-10-18(20)13-34(26)24(37)14-35-22-6-5-17(19-11-28-16(3)29-12-19)9-21(22)25(32-35)15(2)36/h2*5-9,11-12,17,19,22,28H,3-4,10,13-14H2,1-2H3,(H,34,35,41);5-10,12-13,23H,11,14-16H2,1-4H3,(H,34,35,42);4-6,9-12,20,22H,7-8,13H2,1-3H3,(H,35,36,42);5-9,11-12,18,20,26H,4,10,13-14H2,1-3H3,(H,30,31,38)/t2*19-,22-,28+;23-,29-;20-,22+,27-;18-,20-,26+/m11001/s1.

What are the key properties of bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 2957.65 g/mol, XLogP of 19.26, 35 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 158021591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).