5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine

C147H183BBr2ClF11N28O21S — CID 163706064

About 5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine

5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine (PubChem CID 163706064) has the molecular formula C147H183BBr2ClF11N28O21S and a molecular weight of 3125.37 g/mol. Its IUPAC name is 5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine.

Molecular Properties

• Compound Name: 5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine
• PubChem CID: 163706064
• Molecular Formula: C147H183BBr2ClF11N28O21S
• Molecular Weight: 3125.37 g/mol
• Exact Mass: 3121.18
• IUPAC Name: 5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine
• SMILES: C.C.C.CCCCOc1ccc(-c2cc3c(cc2F)nnc2c3n(C3CCOCC3)c(=O)n2C)cn1.CCCCOc1ccc(-c2cc3c(cc2F)nnc2c3n(C3CCOCC3)c(=O)n2C)cn1.CCCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CCCCOc1ccc(Br)cn1.CS(=O)(=O)Cl.Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCN5CCC(F)CC5)nc4)c(F)cc3nnc21.Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCO)nc4)c(F)cc3nnc21.Cn1c(=O)n(C2CCOCC2)c2c3cc(Br)c(F)cc3nnc21.FC1CCNCC1.FF.FF
• InChI: InChI=1S/C28H32F2N6O3.2C24H26FN5O3.C23H24FN5O4.C15H24BNO3.C15H14BrFN4O2.C9H12BrNO.C5H10FN.CH3ClO2S.3CH4.2F2/c1-34-27-26(36(28(34)37)20-7-13-38-14-8-20)22-15-21(23(30)16-24(22)32-33-27)18-3-4-25(31-17-18)39-12-2-9-35-10-5-19(29)6-11-35;2*1-3-4-9-33-21-6-5-15(14-26-21)17-12-18-20(13-19(17)25)27-28-23-22(18)30(24(31)29(23)2)16-7-10-32-11-8-16;1-28-22-21(29(23(28)31)15-5-9-32-10-6-15)17-11-16(18(24)12-19(17)26-27-22)14-3-4-20(25-13-14)33-8-2-7-30;1-6-7-10-18-13-9-8-12(11-17-13)16-19-14(2,3)15(4,5)20-16;1-20-14-13(21(15(20)22)8-2-4-23-5-3-8)9-6-10(16)11(17)7-12(9)18-19-14;1-2-3-6-12-9-5-4-8(10)7-11-9;6-5-1-3-7-4-2-5;1-5(2,3)4;;;;2*1-2/h3-4,15-17,19-20H,2,5-14H2,1H3;2*5-6,12-14,16H,3-4,7-11H2,1-2H3;3-4,11-13,15,30H,2,5-10H2,1H3;8-9,11H,6-7,10H2,1-5H3;6-8H,2-5H2,1H3;4-5,7H,2-3,6H2,1H3;5,7H,1-4H2;1H3;3*1H4
• InChIKey: KFEORULLTNCDBF-UHFFFAOYSA-N
• XLogP: 27.27
• TPSA: 530.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 49
• Rotatable Bonds: 35
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3125.37
LogP ≤ 5	27.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine?

The IUPAC name of 5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine (CID 163706064) is 5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine.

What is the SMILES notation for 5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine?

The canonical SMILES for 5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine is C.C.C.CCCCOc1ccc(-c2cc3c(cc2F)nnc2c3n(C3CCOCC3)c(=O)n2C)cn1.CCCCOc1ccc(-c2cc3c(cc2F)nnc2c3n(C3CCOCC3)c(=O)n2C)cn1.CCCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CCCCOc1ccc(Br)cn1.CS(=O)(=O)Cl.Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCN5CCC(F)CC5)nc4)c(F)cc3nnc21.Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCO)nc4)c(F)cc3nnc21.Cn1c(=O)n(C2CCOCC2)c2c3cc(Br)c(F)cc3nnc21.FC1CCNCC1.FF.FF.

What is the InChIKey of 5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine?

The InChIKey is KFEORULLTNCDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N6O3.2C24H26FN5O3.C23H24FN5O4.C15H24BNO3.C15H14BrFN4O2.C9H12BrNO.C5H10FN.CH3ClO2S.3CH4.2F2/c1-34-27-26(36(28(34)37)20-7-13-38-14-8-20)22-15-21(23(30)16-24(22)32-33-27)18-3-4-25(31-17-18)39-12-2-9-35-10-5-19(29)6-11-35;2*1-3-4-9-33-21-6-5-15(14-26-21)17-12-18-20(13-19(17)25)27-28-23-22(18)30(24(31)29(23)2)16-7-10-32-11-8-16;1-28-22-21(29(23(28)31)15-5-9-32-10-6-15)17-11-16(18(24)12-19(17)26-27-22)14-3-4-20(25-13-14)33-8-2-7-30;1-6-7-10-18-13-9-8-12(11-17-13)16-19-14(2,3)15(4,5)20-16;1-20-14-13(21(15(20)22)8-2-4-23-5-3-8)9-6-10(16)11(17)7-12(9)18-19-14;1-2-3-6-12-9-5-4-8(10)7-11-9;6-5-1-3-7-4-2-5;1-5(2,3)4;;;;2*1-2/h3-4,15-17,19-20H,2,5-14H2,1H3;2*5-6,12-14,16H,3-4,7-11H2,1-2H3;3-4,11-13,15,30H,2,5-10H2,1H3;8-9,11H,6-7,10H2,1-5H3;6-8H,2-5H2,1H3;4-5,7H,2-3,6H2,1H3;5,7H,1-4H2;1H3;3*1H4;;.

What are the key properties of 5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine?

5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine has a molecular weight of 3125.37 g/mol, XLogP of 27.27, 35 rotatable bonds, 2 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;methane;methanesulfonyl chloride;molecular fluorine is sourced from PubChem (CID 163706064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).