7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol

C88H121BrCl3F2N15O21 — CID 159239496

About 7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol

7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol (PubChem CID 159239496) has the molecular formula C88H121BrCl3F2N15O21 and a molecular weight of 1949.28 g/mol. Its IUPAC name is 7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol.

Molecular Properties

• Compound Name: 7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol
• PubChem CID: 159239496
• Molecular Formula: C88H121BrCl3F2N15O21
• Molecular Weight: 1949.28 g/mol
• Exact Mass: 1945.71
• IUPAC Name: 7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol
• SMILES: C=CCBr.C=CCC1(O)CCN(C(=O)OC(C)(C)C)C1.CC(C)(C)OC(=O)N1CCC2(CC(O)CO2)C1.CC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(Cl)c2C1=O.CN1CCC(=O)C1.ClCCl.Nc1ccc(N2CCC3(CC(O)CO3)C2)cn1.O=[N+]([O-])c1ccc(F)cn1.O=[N+]([O-])c1ccc(N2CCC3(CC(O)CO3)C2)cn1.OC1COC2(CCNC2)C1
• InChI: InChI=1S/C19H15ClFN3O3.C12H15N3O4.C12H17N3O2.C12H21NO4.C12H21NO3.C7H13NO2.C5H3FN2O2.C5H9NO.C3H5Br.CH2Cl2/c1-19(2,3)27-18(26)24-9-14-16(17(24)25)11(20)7-13(23-14)15-10(8-22)5-4-6-12(15)21;16-10-5-12(19-7-10)3-4-14(8-12)9-1-2-11(13-6-9)15(17)18;13-11-2-1-9(6-14-11)15-4-3-12(8-15)5-10(16)7-17-12;1-11(2,3)17-10(15)13-5-4-12(8-13)6-9(14)7-16-12;1-5-6-12(15)7-8-13(9-12)10(14)16-11(2,3)4;9-6-3-7(10-4-6)1-2-8-5-7;6-4-1-2-5(7-3-4)8(9)10;1-6-3-2-5(7)4-6;1-2-3-4;2-1-3/h4-7H,9H2,1-3H3;1-2,6,10,16H,3-5,7-8H2;1-2,6,10,16H,3-5,7-8H2,(H2,13,14);9,14H,4-8H2,1-3H3;5,15H,1,6-9H2,2-4H3;6,8-9H,1-5H2;1-3H;2-4H2,1H3;2H,1,3H2;1H2
• InChIKey: KTWYJXJZHOEPLV-UHFFFAOYSA-N
• XLogP: 12.01
• TPSA: 470.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 8
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1949.28
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol?

The IUPAC name of 7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol (CID 159239496) is 7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol.

What is the SMILES notation for 7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol?

The canonical SMILES for 7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol is C=CCBr.C=CCC1(O)CCN(C(=O)OC(C)(C)C)C1.CC(C)(C)OC(=O)N1CCC2(CC(O)CO2)C1.CC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(Cl)c2C1=O.CN1CCC(=O)C1.ClCCl.Nc1ccc(N2CCC3(CC(O)CO3)C2)cn1.O=[N+]([O-])c1ccc(F)cn1.O=[N+]([O-])c1ccc(N2CCC3(CC(O)CO3)C2)cn1.OC1COC2(CCNC2)C1.

What is the InChIKey of 7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol?

The InChIKey is KTWYJXJZHOEPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3.C12H15N3O4.C12H17N3O2.C12H21NO4.C12H21NO3.C7H13NO2.C5H3FN2O2.C5H9NO.C3H5Br.CH2Cl2/c1-19(2,3)27-18(26)24-9-14-16(17(24)25)11(20)7-13(23-14)15-10(8-22)5-4-6-12(15)21;16-10-5-12(19-7-10)3-4-14(8-12)9-1-2-11(13-6-9)15(17)18;13-11-2-1-9(6-14-11)15-4-3-12(8-15)5-10(16)7-17-12;1-11(2,3)17-10(15)13-5-4-12(8-13)6-9(14)7-16-12;1-5-6-12(15)7-8-13(9-12)10(14)16-11(2,3)4;9-6-3-7(10-4-6)1-2-8-5-7;6-4-1-2-5(7-3-4)8(9)10;1-6-3-2-5(7)4-6;1-2-3-4;2-1-3/h4-7H,9H2,1-3H3;1-2,6,10,16H,3-5,7-8H2;1-2,6,10,16H,3-5,7-8H2,(H2,13,14);9,14H,4-8H2,1-3H3;5,15H,1,6-9H2,2-4H3;6,8-9H,1-5H2;1-3H;2-4H2,1H3;2H,1,3H2;1H2.

What are the key properties of 7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol?

7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol has a molecular weight of 1949.28 g/mol, XLogP of 12.01, 8 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-amino-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;3-bromoprop-1-ene;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-hydroxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate;tert-butyl 3-hydroxy-3-prop-2-enylpyrrolidine-1-carboxylate;dichloromethane;5-fluoro-2-nitropyridine;1-methylpyrrolidin-3-one;7-(6-nitro-3-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-ol;1-oxa-7-azaspiro[4.4]nonan-3-ol is sourced from PubChem (CID 159239496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).