2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate

C108H126BBr3N26O15 — CID 157365711

About 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate

2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate (PubChem CID 157365711) has the molecular formula C108H126BBr3N26O15 and a molecular weight of 2278.89 g/mol. Its IUPAC name is 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate.

Molecular Properties

• Compound Name: 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate
• PubChem CID: 157365711
• Molecular Formula: C108H126BBr3N26O15
• Molecular Weight: 2278.89 g/mol
• Exact Mass: 2274.75
• IUPAC Name: 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate
• SMILES: CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)c2ccc(-c3cnc(N(C)C)nc3)cc12.CC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(N(C)C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(-c3cnc(N(C)C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12.CN(C)c1ncc(Br)cn1.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1
• InChI: InChI=1S/C30H31BrN8O3.C21H29BN2O5.C21H25N5O3.C17H17N5O3.C13H16BrN3O.C6H8BrN3/c1-16-6-9-24(31)34-27(16)35-28(42)22-11-30(3)12-23(30)39(22)25(41)15-38-21-8-7-18(10-20(21)26(36-38)17(2)40)19-13-32-29(33-14-19)37(4)5;1-13(25)18-15-11-14(22-28-20(5,6)21(7,8)29-22)9-10-16(15)24(23-18)12-17(26)27-19(2,3)4;1-13(27)19-16-9-14(15-10-22-20(23-11-15)25(5)6)7-8-17(16)26(24-19)12-18(28)29-21(2,3)4;1-10(23)16-13-6-11(12-7-18-17(19-8-12)21(2)3)4-5-14(13)22(20-16)9-15(24)25;1-7-3-4-10(14)16-11(7)17-12(18)8-5-13(2)6-9(13)15-8;1-10(2)6-8-3-5(7)4-9-6/h6-10,13-14,22-23H,11-12,15H2,1-5H3,(H,34,35,42);9-11H,12H2,1-8H3;7-11H,12H2,1-6H3;4-8H,9H2,1-3H3,(H,24,25);3-4,8-9,15H,5-6H2,1-2H3,(H,16,17,18);3-4H,1-2H3/t22-,23+,30-;;;;8-,9+,13-;/m0...0./s1
• InChIKey: BJDOZTKSRATSQH-LVPKVQCBSA-N
• XLogP: 15.61
• TPSA: 480.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2278.89
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate?

The IUPAC name of 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate (CID 157365711) is 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate.

What is the SMILES notation for 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate?

The canonical SMILES for 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate is CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)c2ccc(-c3cnc(N(C)C)nc3)cc12.CC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(N(C)C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(-c3cnc(N(C)C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12.CN(C)c1ncc(Br)cn1.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1.

What is the InChIKey of 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate?

The InChIKey is BJDOZTKSRATSQH-LVPKVQCBSA-N. The full InChI is InChI=1S/C30H31BrN8O3.C21H29BN2O5.C21H25N5O3.C17H17N5O3.C13H16BrN3O.C6H8BrN3/c1-16-6-9-24(31)34-27(16)35-28(42)22-11-30(3)12-23(30)39(22)25(41)15-38-21-8-7-18(10-20(21)26(36-38)17(2)40)19-13-32-29(33-14-19)37(4)5;1-13(25)18-15-11-14(22-28-20(5,6)21(7,8)29-22)9-10-16(15)24(23-18)12-17(26)27-19(2,3)4;1-13(27)19-16-9-14(15-10-22-20(23-11-15)25(5)6)7-8-17(16)26(24-19)12-18(28)29-21(2,3)4;1-10(23)16-13-6-11(12-7-18-17(19-8-12)21(2)3)4-5-14(13)22(20-16)9-15(24)25;1-7-3-4-10(14)16-11(7)17-12(18)8-5-13(2)6-9(13)15-8;1-10(2)6-8-3-5(7)4-9-6/h6-10,13-14,22-23H,11-12,15H2,1-5H3,(H,34,35,42);9-11H,12H2,1-8H3;7-11H,12H2,1-6H3;4-8H,9H2,1-3H3,(H,24,25);3-4,8-9,15H,5-6H2,1-2H3,(H,16,17,18);3-4H,1-2H3/t22-,23+,30-;;;;8-,9+,13-;/m0...0./s1.

What are the key properties of 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate?

2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate has a molecular weight of 2278.89 g/mol, XLogP of 15.61, 24 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;5-bromo-N,N-dimethylpyrimidin-2-amine;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]acetate is sourced from PubChem (CID 157365711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).