sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride

C149H199BBr3ClF8N29NaO17S — CID 163653178

About sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride

sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride (PubChem CID 163653178) has the molecular formula C149H199BBr3ClF8N29NaO17S and a molecular weight of 3161.43 g/mol. Its IUPAC name is sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride.

Molecular Properties

• Compound Name: sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride
• PubChem CID: 163653178
• Molecular Formula: C149H199BBr3ClF8N29NaO17S
• Molecular Weight: 3161.43 g/mol
• Exact Mass: 3156.24
• IUPAC Name: sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride
• SMILES: C.C.C.C.C.C.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCC(F)CC5)nc4)cc3c21.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCO)nc4)cc3c21.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(Br)cc3c21.CCCCO.CCCCOc1ccc(-c2cc3c(cc2F)nnc2c3n(C(C)C)c(=O)n2C)cn1.CCCCOc1ccc(-c2cc3c(cc2F)nnc2c3n(C(C)C)c(=O)n2C)cn1.CCCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CCCCOc1ccc(Br)cn1.CS(=O)(=O)Cl.FC1CCNCC1.Fc1ccc(Br)cn1.[H-].[Na+]
• InChI: InChI=1S/C26H30F2N6O2.2C22H24FN5O2.C21H22FN5O3.C15H24BNO3.C13H12BrFN4O.C9H12BrNO.C5H3BrFN.C5H10FN.C4H10O.CH3ClO2S.6CH4.Na.H/c1-16(2)34-24-20-13-19(21(28)14-22(20)30-31-25(24)32(3)26(34)35)17-5-6-23(29-15-17)36-12-4-9-33-10-7-18(27)8-11-33;2*1-5-6-9-30-19-8-7-14(12-24-19)15-10-16-18(11-17(15)23)25-26-21-20(16)28(13(2)3)22(29)27(21)4;1-12(2)27-19-15-9-14(13-5-6-18(23-11-13)30-8-4-7-28)16(22)10-17(15)24-25-20(19)26(3)21(27)29;1-6-7-10-18-13-9-8-12(11-17-13)16-19-14(2,3)15(4,5)20-16;1-6(2)19-11-7-4-8(14)9(15)5-10(7)16-17-12(11)18(3)13(19)20;1-2-3-6-12-9-5-4-8(10)7-11-9;6-4-1-2-5(7)8-3-4;6-5-1-3-7-4-2-5;1-2-3-4-5;1-5(2,3)4;;;;;;;;/h5-6,13-16,18H,4,7-12H2,1-3H3;2*7-8,10-13H,5-6,9H2,1-4H3;5-6,9-12,28H,4,7-8H2,1-3H3;8-9,11H,6-7,10H2,1-5H3;4-6H,1-3H3;4-5,7H,2-3,6H2,1H3;1-3H;5,7H,1-4H2;5H,2-4H2,1H3;1H3;6*1H4;;/q;;;;;;;;;;;;;;;;;+1;-1
• InChIKey: BANSIXNQVCPSFO-UHFFFAOYSA-N
• XLogP: 28.52
• TPSA: 517.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 46
• Rotatable Bonds: 37
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3161.43
LogP ≤ 5	28.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride?

The IUPAC name of sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride (CID 163653178) is sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride.

What is the SMILES notation for sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride?

The canonical SMILES for sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride is C.C.C.C.C.C.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCC(F)CC5)nc4)cc3c21.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCO)nc4)cc3c21.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(Br)cc3c21.CCCCO.CCCCOc1ccc(-c2cc3c(cc2F)nnc2c3n(C(C)C)c(=O)n2C)cn1.CCCCOc1ccc(-c2cc3c(cc2F)nnc2c3n(C(C)C)c(=O)n2C)cn1.CCCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CCCCOc1ccc(Br)cn1.CS(=O)(=O)Cl.FC1CCNCC1.Fc1ccc(Br)cn1.[H-].[Na+].

What is the InChIKey of sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride?

The InChIKey is BANSIXNQVCPSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O2.2C22H24FN5O2.C21H22FN5O3.C15H24BNO3.C13H12BrFN4O.C9H12BrNO.C5H3BrFN.C5H10FN.C4H10O.CH3ClO2S.6CH4.Na.H/c1-16(2)34-24-20-13-19(21(28)14-22(20)30-31-25(24)32(3)26(34)35)17-5-6-23(29-15-17)36-12-4-9-33-10-7-18(27)8-11-33;2*1-5-6-9-30-19-8-7-14(12-24-19)15-10-16-18(11-17(15)23)25-26-21-20(16)28(13(2)3)22(29)27(21)4;1-12(2)27-19-15-9-14(13-5-6-18(23-11-13)30-8-4-7-28)16(22)10-17(15)24-25-20(19)26(3)21(27)29;1-6-7-10-18-13-9-8-12(11-17-13)16-19-14(2,3)15(4,5)20-16;1-6(2)19-11-7-4-8(14)9(15)5-10(7)16-17-12(11)18(3)13(19)20;1-2-3-6-12-9-5-4-8(10)7-11-9;6-4-1-2-5(7)8-3-4;6-5-1-3-7-4-2-5;1-2-3-4-5;1-5(2,3)4;;;;;;;;/h5-6,13-16,18H,4,7-12H2,1-3H3;2*7-8,10-13H,5-6,9H2,1-4H3;5-6,9-12,28H,4,7-8H2,1-3H3;8-9,11H,6-7,10H2,1-5H3;4-6H,1-3H3;4-5,7H,2-3,6H2,1H3;1-3H;5,7H,1-4H2;5H,2-4H2,1H3;1H3;6*1H4;;/q;;;;;;;;;;;;;;;;;+1;-1.

What are the key properties of sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride?

sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride has a molecular weight of 3161.43 g/mol, XLogP of 28.52, 37 rotatable bonds, 3 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride is sourced from PubChem (CID 163653178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).