cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride

C99H133ClN18O21 — CID 167564101

About cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride

cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride (PubChem CID 167564101) has the molecular formula C99H133ClN18O21 and a molecular weight of 1946.71 g/mol. Its IUPAC name is cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride.

Molecular Properties

• Compound Name: cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride
• PubChem CID: 167564101
• Molecular Formula: C99H133ClN18O21
• Molecular Weight: 1946.71 g/mol
• Exact Mass: 1944.96
• IUPAC Name: cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride
• SMILES: C.C.C.C.C.C.CC1CCC2(CC1)OCCO2.Cc1cccc(C(=O)Nc2cc3cn(C4CCC5(CC4)OCCO5)nc3cc2OCC2CC2)[n+]1[O-].Cc1cccc(C(=O)Nc2cc3cn[nH]c3cc2OCC2CC2)[n+]1[O-].Cc1cccc(C(=O)O)[n+]1[O-].Cl.Nc1cc2cn[nH]c2cc1OCC1CC1.O=[N+]([O-])c1cc2cn[nH]c2cc1O.O=[N+]([O-])c1cc2cn[nH]c2cc1OCC1CC1.OCC1CC1
• InChI: InChI=1S/C26H30N4O5.C18H18N4O3.C11H11N3O3.C11H13N3O.C9H16O2.C7H5N3O3.C7H7NO3.C4H8O.6CH4.ClH/c1-17-3-2-4-23(30(17)32)25(31)27-22-13-19-15-29(20-7-9-26(10-8-20)34-11-12-35-26)28-21(19)14-24(22)33-16-18-5-6-18;1-11-3-2-4-16(22(11)24)18(23)20-15-7-13-9-19-21-14(13)8-17(15)25-10-12-5-6-12;15-14(16)10-3-8-5-12-13-9(8)4-11(10)17-6-7-1-2-7;12-9-3-8-5-13-14-10(8)4-11(9)15-6-7-1-2-7;1-8-2-4-9(5-3-8)10-6-7-11-9;11-7-2-5-4(3-8-9-5)1-6(7)10(12)13;1-5-3-2-4-6(7(9)10)8(5)11;5-3-4-1-2-4;;;;;;;/h2-4,13-15,18,20H,5-12,16H2,1H3,(H,27,31);2-4,7-9,12H,5-6,10H2,1H3,(H,19,21)(H,20,23);3-5,7H,1-2,6H2,(H,12,13);3-5,7H,1-2,6,12H2,(H,13,14);8H,2-7H2,1H3;1-3,11H,(H,8,9);2-4H,1H3,(H,9,10);4-5H,1-3H2;6*1H4;1H
• InChIKey: FSJLKHPYNULDOZ-UHFFFAOYSA-N
• XLogP: 18.69
• TPSA: 535.46 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1946.71
LogP ≤ 5	18.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride?

The IUPAC name of cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride (CID 167564101) is cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride.

What is the SMILES notation for cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride?

The canonical SMILES for cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride is C.C.C.C.C.C.CC1CCC2(CC1)OCCO2.Cc1cccc(C(=O)Nc2cc3cn(C4CCC5(CC4)OCCO5)nc3cc2OCC2CC2)[n+]1[O-].Cc1cccc(C(=O)Nc2cc3cn[nH]c3cc2OCC2CC2)[n+]1[O-].Cc1cccc(C(=O)O)[n+]1[O-].Cl.Nc1cc2cn[nH]c2cc1OCC1CC1.O=[N+]([O-])c1cc2cn[nH]c2cc1O.O=[N+]([O-])c1cc2cn[nH]c2cc1OCC1CC1.OCC1CC1.

What is the InChIKey of cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride?

The InChIKey is FSJLKHPYNULDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5.C18H18N4O3.C11H11N3O3.C11H13N3O.C9H16O2.C7H5N3O3.C7H7NO3.C4H8O.6CH4.ClH/c1-17-3-2-4-23(30(17)32)25(31)27-22-13-19-15-29(20-7-9-26(10-8-20)34-11-12-35-26)28-21(19)14-24(22)33-16-18-5-6-18;1-11-3-2-4-16(22(11)24)18(23)20-15-7-13-9-19-21-14(13)8-17(15)25-10-12-5-6-12;15-14(16)10-3-8-5-12-13-9(8)4-11(10)17-6-7-1-2-7;12-9-3-8-5-13-14-10(8)4-11(9)15-6-7-1-2-7;1-8-2-4-9(5-3-8)10-6-7-11-9;11-7-2-5-4(3-8-9-5)1-6(7)10(12)13;1-5-3-2-4-6(7(9)10)8(5)11;5-3-4-1-2-4;;;;;;;/h2-4,13-15,18,20H,5-12,16H2,1H3,(H,27,31);2-4,7-9,12H,5-6,10H2,1H3,(H,19,21)(H,20,23);3-5,7H,1-2,6H2,(H,12,13);3-5,7H,1-2,6,12H2,(H,13,14);8H,2-7H2,1H3;1-3,11H,(H,8,9);2-4H,1H3,(H,9,10);4-5H,1-3H2;6*1H4;1H.

What are the key properties of cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride?

cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride has a molecular weight of 1946.71 g/mol, XLogP of 18.69, 21 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylmethanol;N-[6-(cyclopropylmethoxy)-2-(1,4-dioxaspiro[4.5]decan-8-yl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-1H-indazol-5-amine;N-[6-(cyclopropylmethoxy)-1H-indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-(cyclopropylmethoxy)-5-nitro-1H-indazole;methane;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid;5-nitro-1H-indazol-6-ol;hydrochloride is sourced from PubChem (CID 167564101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).