3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole

C103H91BrFN47O12 — CID 159198306

IUPAC3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole
SMILESCc1cccc(C(=O)N(Cc2nn[nH]n2)c2ccc3c(cnn3O)c2)c1.Cc1coc(C)c1C(=O)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.O=C(CCc1ccccc1)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.O=C(c1cc(F)cc(Br)c1)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.O=C(c1cccnc1)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.On1ncc2cc(NCc3cn[nH]n3)ccc21.c1cc2[nH]ncc2cc1CCc1cn[nH]n1
InChIInChI=1S/C18H17N7O2.C17H15N7O2.C16H11BrFN7O2.C16H15N7O3.C15H12N8O2.C11H11N5.C10H10N6O/c26-18(9-6-13-4-2-1-3-5-13)24(12-17-20-22-23-21-17)15-7-8-16-14(10-15)11-19-25(16)27;1-11-3-2-4-12(7-11)17(25)23(10-16-19-21-22-20-16)14-5-6-15-13(8-14)9-18-24(15)26;17-11-3-9(4-12(18)6-11)16(26)24(8-15-20-22-23-21-15)13-1-2-14-10(5-13)7-19-25(14)27;1-9-8-26-10(2)15(9)16(24)22(7-14-18-20-21-19-14)12-3-4-13-11(5-12)6-17-23(13)25;24-15(10-2-1-5-16-7-10)22(9-14-18-20-21-19-14)12-3-4-13-11(6-12)8-17-23(13)25;1(3-10-7-13-16-14-10)8-2-4-11-9(5-8)6-12-15-11;17-16-10-2-1-8(3-7(10)4-13-16)11-5-9-6-12-15-14-9/h1-5,7-8,10-11,27H,6,9,12H2,(H,20,21,22,23);2-9,26H,10H2,1H3,(H,19,20,21,22);1-7,27H,8H2,(H,20,21,22,23);3-6,8,25H,7H2,1-2H3,(H,18,19,20,21);1-8,25H,9H2,(H,18,19,20,21);2,4-7H,1,3H2,(H,12,15)(H,13,14,16);1-4,6,11,17H,5H2,(H,12,14,15)
InChIKeyKOYKKIGEWMZWKY-UHFFFAOYSA-N
MW2278.08 g/mol
LogP11.77
Rot. Bonds28

About 3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole

3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole (PubChem CID 159198306) has the molecular formula C103H91BrFN47O12 and a molecular weight of 2278.08 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole
PubChem CID159198306
Molecular FormulaC103H91BrFN47O12
Molecular Weight2278.08 g/mol
Exact Mass2275.71
IUPAC Name3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole
SMILESCc1cccc(C(=O)N(Cc2nn[nH]n2)c2ccc3c(cnn3O)c2)c1.Cc1coc(C)c1C(=O)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.O=C(CCc1ccccc1)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.O=C(c1cc(F)cc(Br)c1)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.O=C(c1cccnc1)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.On1ncc2cc(NCc3cn[nH]n3)ccc21.c1cc2[nH]ncc2cc1CCc1cn[nH]n1
InChIInChI=1S/C18H17N7O2.C17H15N7O2.C16H11BrFN7O2.C16H15N7O3.C15H12N8O2.C11H11N5.C10H10N6O/c26-18(9-6-13-4-2-1-3-5-13)24(12-17-20-22-23-21-17)15-7-8-16-14(10-15)11-19-25(16)27;1-11-3-2-4-12(7-11)17(25)23(10-16-19-21-22-20-16)14-5-6-15-13(8-14)9-18-24(15)26;17-11-3-9(4-12(18)6-11)16(26)24(8-15-20-22-23-21-15)13-1-2-14-10(5-13)7-19-25(14)27;1-9-8-26-10(2)15(9)16(24)22(7-14-18-20-21-19-14)12-3-4-13-11(5-12)6-17-23(13)25;24-15(10-2-1-5-16-7-10)22(9-14-18-20-21-19-14)12-3-4-13-11(6-12)8-17-23(13)25;1(3-10-7-13-16-14-10)8-2-4-11-9(5-8)6-12-15-11;17-16-10-2-1-8(3-7(10)4-13-16)11-5-9-6-12-15-14-9/h1-5,7-8,10-11,27H,6,9,12H2,(H,20,21,22,23);2-9,26H,10H2,1H3,(H,19,20,21,22);1-7,27H,8H2,(H,20,21,22,23);3-6,8,25H,7H2,1-2H3,(H,18,19,20,21);1-8,25H,9H2,(H,18,19,20,21);2,4-7H,1,3H2,(H,12,15)(H,13,14,16);1-4,6,11,17H,5H2,(H,12,14,15)
InChIKeyKOYKKIGEWMZWKY-UHFFFAOYSA-N
XLogP11.77
TPSA752.03 Ų
H-Bond Donors15
H-Bond Acceptors46
Rotatable Bonds28
Heavy Atoms164
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002278.08
LogP ≤ 511.77
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole?
The IUPAC name of 3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole (CID 159198306) is 3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole.
What is the SMILES notation for 3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole?
The canonical SMILES for 3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole is Cc1cccc(C(=O)N(Cc2nn[nH]n2)c2ccc3c(cnn3O)c2)c1.Cc1coc(C)c1C(=O)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.O=C(CCc1ccccc1)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.O=C(c1cc(F)cc(Br)c1)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.O=C(c1cccnc1)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.On1ncc2cc(NCc3cn[nH]n3)ccc21.c1cc2[nH]ncc2cc1CCc1cn[nH]n1.
What is the InChIKey of 3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole?
The InChIKey is KOYKKIGEWMZWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2.C17H15N7O2.C16H11BrFN7O2.C16H15N7O3.C15H12N8O2.C11H11N5.C10H10N6O/c26-18(9-6-13-4-2-1-3-5-13)24(12-17-20-22-23-21-17)15-7-8-16-14(10-15)11-19-25(16)27;1-11-3-2-4-12(7-11)17(25)23(10-16-19-21-22-20-16)14-5-6-15-13(8-14)9-18-24(15)26;17-11-3-9(4-12(18)6-11)16(26)24(8-15-20-22-23-21-15)13-1-2-14-10(5-13)7-19-25(14)27;1-9-8-26-10(2)15(9)16(24)22(7-14-18-20-21-19-14)12-3-4-13-11(5-12)6-17-23(13)25;24-15(10-2-1-5-16-7-10)22(9-14-18-20-21-19-14)12-3-4-13-11(6-12)8-17-23(13)25;1(3-10-7-13-16-14-10)8-2-4-11-9(5-8)6-12-15-11;17-16-10-2-1-8(3-7(10)4-13-16)11-5-9-6-12-15-14-9/h1-5,7-8,10-11,27H,6,9,12H2,(H,20,21,22,23);2-9,26H,10H2,1H3,(H,19,20,21,22);1-7,27H,8H2,(H,20,21,22,23);3-6,8,25H,7H2,1-2H3,(H,18,19,20,21);1-8,25H,9H2,(H,18,19,20,21);2,4-7H,1,3H2,(H,12,15)(H,13,14,16);1-4,6,11,17H,5H2,(H,12,14,15).
What are the key properties of 3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole?
3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole has a molecular weight of 2278.08 g/mol, XLogP of 11.77, 28 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole is sourced from PubChem (CID 159198306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).