dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide

C88H102Br2Mg2N16O14 — CID 164986879

About dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide

dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide (PubChem CID 164986879) has the molecular formula C88H102Br2Mg2N16O14 and a molecular weight of 1816.30 g/mol. Its IUPAC name is dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide.

Molecular Properties

• Compound Name: dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide
• PubChem CID: 164986879
• Molecular Formula: C88H102Br2Mg2N16O14
• Molecular Weight: 1816.30 g/mol
• Exact Mass: 1812.58
• IUPAC Name: dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide
• SMILES: COC(=O)C1CC(n2cc3cc(NC(=O)c4cccc(C)n4)c(OC)cc3n2)C1.COC(=O)C1CC(n2cc3cc(NC(=O)c4cccc(C)n4)c(OC)cc3n2)C1.COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C)n1.COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C)n1.[Br-].[Br-].[CH3-].[CH3-].[Mg+2].[Mg+2]
• InChI: InChI=1S/2C22H26N4O3.2C21H22N4O4.2CH3.2BrH.2Mg/c2*1-13-6-5-7-17(23-13)21(27)24-19-8-14-12-26(25-18(14)11-20(19)29-4)16-9-15(10-16)22(2,3)28;2*1-12-5-4-6-16(22-12)20(26)23-18-9-14-11-25(24-17(14)10-19(18)28-2)15-7-13(8-15)21(27)29-3;;;;;;/h2*5-8,11-12,15-16,28H,9-10H2,1-4H3,(H,24,27);2*4-6,9-11,13,15H,7-8H2,1-3H3,(H,23,26);2*1H3;2*1H;;/q;;;;2*-1;;;2*+2/p-2
• InChIKey: HAOOSHXTDFUHLB-UHFFFAOYSA-L
• XLogP: 7.84
• TPSA: 369.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1816.30
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide?

The IUPAC name of dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide (CID 164986879) is dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide.

What is the SMILES notation for dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide?

The canonical SMILES for dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide is COC(=O)C1CC(n2cc3cc(NC(=O)c4cccc(C)n4)c(OC)cc3n2)C1.COC(=O)C1CC(n2cc3cc(NC(=O)c4cccc(C)n4)c(OC)cc3n2)C1.COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C)n1.COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C)n1.[Br-].[Br-].[CH3-].[CH3-].[Mg+2].[Mg+2].

What is the InChIKey of dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide?

The InChIKey is HAOOSHXTDFUHLB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H26N4O3.2C21H22N4O4.2CH3.2BrH.2Mg/c2*1-13-6-5-7-17(23-13)21(27)24-19-8-14-12-26(25-18(14)11-20(19)29-4)16-9-15(10-16)22(2,3)28;2*1-12-5-4-6-16(22-12)20(26)23-18-9-14-11-25(24-17(14)10-19(18)28-2)15-7-13(8-15)21(27)29-3;;;;;;/h2*5-8,11-12,15-16,28H,9-10H2,1-4H3,(H,24,27);2*4-6,9-11,13,15H,7-8H2,1-3H3,(H,23,26);2*1H3;2*1H;;/q;;;;2*-1;;;2*+2/p-2.

What are the key properties of dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide?

dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide has a molecular weight of 1816.30 g/mol, XLogP of 7.84, 20 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide is sourced from PubChem (CID 164986879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).