4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine

C134H145BrCl2F7IN14O13 — CID 159286784

About 4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine

4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine (PubChem CID 159286784) has the molecular formula C134H145BrCl2F7IN14O13 and a molecular weight of 2570.42 g/mol. Its IUPAC name is 4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine.

Molecular Properties

• Compound Name: 4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine
• PubChem CID: 159286784
• Molecular Formula: C134H145BrCl2F7IN14O13
• Molecular Weight: 2570.42 g/mol
• Exact Mass: 2566.86
• IUPAC Name: 4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine
• SMILES: CC(C)(C)OC(=O)N1CC2(CC(I)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(c3ccc(O)c(F)c3)C2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(CC(c4ccc(OC)c(F)c4)C3)C2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.COc1ccc(Br)cc1F.COc1ccc(C2CC3(C2)CN(c2ccc(C#N)cc2)C3)cc1F.COc1ccc(C2CC3(C2)CN(c2ccc(CN)cc2)C3)cc1F.N#Cc1ccc(F)cc1.Oc1ccc(C2CC3(CNC3)C2)cc1F
• InChI: InChI=1S/C30H30ClFN4O2.C20H23FN2O.C20H19FN2O.C17H22FNO3.C12H14FNO.C11H18INO2.C10H9ClN2O2.C7H6BrFO.C7H4FN/c1-3-25-28(36-16-22(31)7-11-27(36)34-25)29(37)33-15-19-4-8-23(9-5-19)35-17-30(18-35)13-21(14-30)20-6-10-26(38-2)24(32)12-20;2*1-24-19-7-4-15(8-18(19)21)16-9-20(10-16)12-23(13-20)17-5-2-14(11-22)3-6-17;1-16(2,3)22-15(21)19-9-17(10-19)7-12(8-17)11-4-5-14(20)13(18)6-11;13-10-3-8(1-2-11(10)15)9-4-12(5-9)6-14-7-12;1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-10-7-3-2-5(8)4-6(7)9;8-7-3-1-6(5-9)2-4-7/h4-12,16,21H,3,13-15,17-18H2,1-2H3,(H,33,37);2-8,16H,9-13,22H2,1H3;2-8,16H,9-10,12-13H2,1H3;4-6,12,20H,7-10H2,1-3H3;1-3,9,14-15H,4-7H2;8H,4-7H2,1-3H3;3-5H,2H2,1H3,(H,14,15);2-4H,1H3;1-4H
• InChIKey: KZPMSVWZXWPYHZ-UHFFFAOYSA-N
• XLogP: 28.79
• TPSA: 332.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2570.42
LogP ≤ 5	28.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine?

The IUPAC name of 4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine (CID 159286784) is 4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine.

What is the SMILES notation for 4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine?

The canonical SMILES for 4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine is CC(C)(C)OC(=O)N1CC2(CC(I)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(c3ccc(O)c(F)c3)C2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(CC(c4ccc(OC)c(F)c4)C3)C2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.COc1ccc(Br)cc1F.COc1ccc(C2CC3(C2)CN(c2ccc(C#N)cc2)C3)cc1F.COc1ccc(C2CC3(C2)CN(c2ccc(CN)cc2)C3)cc1F.N#Cc1ccc(F)cc1.Oc1ccc(C2CC3(CNC3)C2)cc1F.

What is the InChIKey of 4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine?

The InChIKey is KZPMSVWZXWPYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClFN4O2.C20H23FN2O.C20H19FN2O.C17H22FNO3.C12H14FNO.C11H18INO2.C10H9ClN2O2.C7H6BrFO.C7H4FN/c1-3-25-28(36-16-22(31)7-11-27(36)34-25)29(37)33-15-19-4-8-23(9-5-19)35-17-30(18-35)13-21(14-30)20-6-10-26(38-2)24(32)12-20;2*1-24-19-7-4-15(8-18(19)21)16-9-20(10-16)12-23(13-20)17-5-2-14(11-22)3-6-17;1-16(2,3)22-15(21)19-9-17(10-19)7-12(8-17)11-4-5-14(20)13(18)6-11;13-10-3-8(1-2-11(10)15)9-4-12(5-9)6-14-7-12;1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-10-7-3-2-5(8)4-6(7)9;8-7-3-1-6(5-9)2-4-7/h4-12,16,21H,3,13-15,17-18H2,1-2H3,(H,33,37);2-8,16H,9-13,22H2,1H3;2-8,16H,9-10,12-13H2,1H3;4-6,12,20H,7-10H2,1-3H3;1-3,9,14-15H,4-7H2;8H,4-7H2,1-3H3;3-5H,2H2,1H3,(H,14,15);2-4H,1H3;1-4H.

What are the key properties of 4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine?

4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine has a molecular weight of 2570.42 g/mol, XLogP of 28.79, 19 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-azaspiro[3.3]heptan-6-yl)-2-fluorophenol;4-bromo-2-fluoro-1-methoxybenzene;tert-butyl 6-(3-fluoro-4-hydroxyphenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;4-fluorobenzonitrile;4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile;[4-[6-(3-fluoro-4-methoxyphenyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine is sourced from PubChem (CID 159286784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).