lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate

C99H114BBr2Cl3LiN23O19 — CID 160813950

About lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate

lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate (PubChem CID 160813950) has the molecular formula C99H114BBr2Cl3LiN23O19 and a molecular weight of 2214.06 g/mol. Its IUPAC name is lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate
• PubChem CID: 160813950
• Molecular Formula: C99H114BBr2Cl3LiN23O19
• Molecular Weight: 2214.06 g/mol
• Exact Mass: 2209.63
• IUPAC Name: lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate
• SMILES: Brc1ccc2cn[nH]c2c1.CC(C)(C)OC(=O)n1ncc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.CC(C)(C)OC(=O)n1ncc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC(C)(C)OC(=O)n1ncc2ccc(Br)cc21.COC(=O)c1ccc(N)cn1.COC(=O)c1ccc(Nc2cc(-c3ccc4cnn(C(=O)OC(C)(C)C)c4c3)nc(N3CCOCC3)n2)cn1.Clc1cc(Cl)nc(N2CCOCC2)n1.O.[Li+].[OH-]
• InChI: InChI=1S/C27H29N7O5.C20H22ClN5O3.C18H25BN2O4.C12H13BrN2O2.C8H9Cl2N3O.C7H5BrN2.C7H8N2O2.Li.2H2O/c1-27(2,3)39-26(36)34-22-13-17(5-6-18(22)15-29-34)21-14-23(32-25(31-21)33-9-11-38-12-10-33)30-19-7-8-20(28-16-19)24(35)37-4;1-20(2,3)29-19(27)26-16-10-13(4-5-14(16)12-22-26)15-11-17(21)24-18(23-15)25-6-8-28-9-7-25;1-16(2,3)23-15(22)21-14-10-13(9-8-12(14)11-20-21)19-24-17(4,5)18(6,7)25-19;1-12(2,3)17-11(16)15-10-6-9(13)5-4-8(10)7-14-15;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;8-6-2-1-5-4-9-10-7(5)3-6;1-11-7(10)6-3-2-5(8)4-9-6;;;/h5-8,13-16H,9-12H2,1-4H3,(H,30,31,32);4-5,10-12H,6-9H2,1-3H3;8-11H,1-7H3;4-7H,1-3H3;5H,1-4H2;1-4H,(H,9,10);2-4H,8H2,1H3;;2*1H2/q;;;;;;;+1;;/p-1
• InChIKey: BWFZCKIGGSQPJG-UHFFFAOYSA-M
• XLogP: 14.90
• TPSA: 516.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 10
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2214.06
LogP ≤ 5	14.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate?

The IUPAC name of lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate (CID 160813950) is lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate.

What is the SMILES notation for lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate?

The canonical SMILES for lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate is Brc1ccc2cn[nH]c2c1.CC(C)(C)OC(=O)n1ncc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.CC(C)(C)OC(=O)n1ncc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC(C)(C)OC(=O)n1ncc2ccc(Br)cc21.COC(=O)c1ccc(N)cn1.COC(=O)c1ccc(Nc2cc(-c3ccc4cnn(C(=O)OC(C)(C)C)c4c3)nc(N3CCOCC3)n2)cn1.Clc1cc(Cl)nc(N2CCOCC2)n1.O.[Li+].[OH-].

What is the InChIKey of lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate?

The InChIKey is BWFZCKIGGSQPJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H29N7O5.C20H22ClN5O3.C18H25BN2O4.C12H13BrN2O2.C8H9Cl2N3O.C7H5BrN2.C7H8N2O2.Li.2H2O/c1-27(2,3)39-26(36)34-22-13-17(5-6-18(22)15-29-34)21-14-23(32-25(31-21)33-9-11-38-12-10-33)30-19-7-8-20(28-16-19)24(35)37-4;1-20(2,3)29-19(27)26-16-10-13(4-5-14(16)12-22-26)15-11-17(21)24-18(23-15)25-6-8-28-9-7-25;1-16(2,3)23-15(22)21-14-10-13(9-8-12(14)11-20-21)19-24-17(4,5)18(6,7)25-19;1-12(2,3)17-11(16)15-10-6-9(13)5-4-8(10)7-14-15;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;8-6-2-1-5-4-9-10-7(5)3-6;1-11-7(10)6-3-2-5(8)4-9-6;;;/h5-8,13-16H,9-12H2,1-4H3,(H,30,31,32);4-5,10-12H,6-9H2,1-3H3;8-11H,1-7H3;4-7H,1-3H3;5H,1-4H2;1-4H,(H,9,10);2-4H,8H2,1H3;;2*1H2/q;;;;;;;+1;;/p-1.

What are the key properties of lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate?

lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate has a molecular weight of 2214.06 g/mol, XLogP of 14.90, 10 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;6-bromo-1H-indazole;tert-butyl 6-bromoindazole-1-carboxylate;tert-butyl 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylate;tert-butyl 6-[6-[(6-methoxycarbonyl-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]indazole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 5-aminopyridine-2-carboxylate;hydroxide;hydrate is sourced from PubChem (CID 160813950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).