5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole

C94H116BBr2F3N16O15S — CID 165071651

IUPAC5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole
SMILESBrc1ccc2[nH]ncc2c1.CC(C)(C)OC(=O)N1CCCC=C1OS(=O)(=O)C(F)(F)F.CC(C)(C)OC(=O)N1CCCC=C1c1ccc2c(cnn2C(=O)OC(C)(C)C)c1.CC(C)(C)OC(=O)n1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21.CC(C)(C)OC(=O)n1ncc2cc(Br)ccc21.c1cc2[nH]ncc2cc1C1=NCCCC1.c1cc2[nH]ncc2cc1C1CCCCN1
InChIInChI=1S/C22H29N3O4.C18H25BN2O4.C12H13BrN2O2.C12H15N3.C12H13N3.C11H16F3NO5S.C7H5BrN2/c1-21(2,3)28-19(26)24-12-8-7-9-17(24)15-10-11-18-16(13-15)14-23-25(18)20(27)29-22(4,5)6;1-16(2,3)23-15(22)21-14-9-8-13(10-12(14)11-20-21)19-24-17(4,5)18(6,7)25-19;1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14-15;2*1-2-6-13-11(3-1)9-4-5-12-10(7-9)8-14-15-12;1-10(2,3)19-9(16)15-7-5-4-6-8(15)20-21(17,18)11(12,13)14;8-6-1-2-7-5(3-6)4-9-10-7/h9-11,13-14H,7-8,12H2,1-6H3;8-11H,1-7H3;4-7H,1-3H3;4-5,7-8,11,13H,1-3,6H2,(H,14,15);4-5,7-8H,1-3,6H2,(H,14,15);6H,4-5,7H2,1-3H3;1-4H,(H,9,10)
InChIKeySWERFXGIFNUERL-UHFFFAOYSA-N
MW1969.74 g/mol
LogP21.86
Rot. Bonds6

About 5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole

5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole (PubChem CID 165071651) has the molecular formula C94H116BBr2F3N16O15S and a molecular weight of 1969.74 g/mol. Its IUPAC name is 5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole.

Molecular Properties

Compound Name5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole
PubChem CID165071651
Molecular FormulaC94H116BBr2F3N16O15S
Molecular Weight1969.74 g/mol
Exact Mass1966.69
IUPAC Name5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole
SMILESBrc1ccc2[nH]ncc2c1.CC(C)(C)OC(=O)N1CCCC=C1OS(=O)(=O)C(F)(F)F.CC(C)(C)OC(=O)N1CCCC=C1c1ccc2c(cnn2C(=O)OC(C)(C)C)c1.CC(C)(C)OC(=O)n1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21.CC(C)(C)OC(=O)n1ncc2cc(Br)ccc21.c1cc2[nH]ncc2cc1C1=NCCCC1.c1cc2[nH]ncc2cc1C1CCCCN1
InChIInChI=1S/C22H29N3O4.C18H25BN2O4.C12H13BrN2O2.C12H15N3.C12H13N3.C11H16F3NO5S.C7H5BrN2/c1-21(2,3)28-19(26)24-12-8-7-9-17(24)15-10-11-18-16(13-15)14-23-25(18)20(27)29-22(4,5)6;1-16(2,3)23-15(22)21-14-9-8-13(10-12(14)11-20-21)19-24-17(4,5)18(6,7)25-19;1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14-15;2*1-2-6-13-11(3-1)9-4-5-12-10(7-9)8-14-15-12;1-10(2,3)19-9(16)15-7-5-4-6-8(15)20-21(17,18)11(12,13)14;8-6-1-2-7-5(3-6)4-9-10-7/h9-11,13-14H,7-8,12H2,1-6H3;8-11H,1-7H3;4-7H,1-3H3;4-5,7-8,11,13H,1-3,6H2,(H,14,15);4-5,7-8H,1-3,6H2,(H,14,15);6H,4-5,7H2,1-3H3;1-4H,(H,9,10)
InChIKeySWERFXGIFNUERL-UHFFFAOYSA-N
XLogP21.86
TPSA363.70 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds6
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001969.74
LogP ≤ 521.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole with MolForge

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Related Compounds

tert-butyl 6-(1H-indazol-4-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;4-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;4-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 164986032
CID 165035247
CID 165035247
5-bromo-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trifluoromethanesulfonic acid
CID 165080530
5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 165102597
CID 165104916
CID 165104916
5-bromo-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 167640379
5-bromo-1H-indazole;tert-butyl 4-(5-bromoindazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methylindazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;methane;5-methyl-1-piperidin-4-ylindazole;hydrochloride
CID 157748622
5-bromo-1H-indazole;tert-butyl 4-(5-bromoindazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methylindazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;methane;5-methyl-1-piperidin-4-ylindazole;hydrochloride
CID 159653746
5-bromo-1H-indazole;tert-butyl 4-(5-bromoindazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methylindazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;methane;5-methyl-1-piperidin-4-ylindazole;hydrochloride
CID 162159365
(1R)-N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine;bis((1R)-N-benzyl-6-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine);tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
CID 163813247

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole?
The IUPAC name of 5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole (CID 165071651) is 5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole.
What is the SMILES notation for 5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole?
The canonical SMILES for 5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole is Brc1ccc2[nH]ncc2c1.CC(C)(C)OC(=O)N1CCCC=C1OS(=O)(=O)C(F)(F)F.CC(C)(C)OC(=O)N1CCCC=C1c1ccc2c(cnn2C(=O)OC(C)(C)C)c1.CC(C)(C)OC(=O)n1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21.CC(C)(C)OC(=O)n1ncc2cc(Br)ccc21.c1cc2[nH]ncc2cc1C1=NCCCC1.c1cc2[nH]ncc2cc1C1CCCCN1.
What is the InChIKey of 5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole?
The InChIKey is SWERFXGIFNUERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4.C18H25BN2O4.C12H13BrN2O2.C12H15N3.C12H13N3.C11H16F3NO5S.C7H5BrN2/c1-21(2,3)28-19(26)24-12-8-7-9-17(24)15-10-11-18-16(13-15)14-23-25(18)20(27)29-22(4,5)6;1-16(2,3)23-15(22)21-14-9-8-13(10-12(14)11-20-21)19-24-17(4,5)18(6,7)25-19;1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14-15;2*1-2-6-13-11(3-1)9-4-5-12-10(7-9)8-14-15-12;1-10(2,3)19-9(16)15-7-5-4-6-8(15)20-21(17,18)11(12,13)14;8-6-1-2-7-5(3-6)4-9-10-7/h9-11,13-14H,7-8,12H2,1-6H3;8-11H,1-7H3;4-7H,1-3H3;4-5,7-8,11,13H,1-3,6H2,(H,14,15);4-5,7-8H,1-3,6H2,(H,14,15);6H,4-5,7H2,1-3H3;1-4H,(H,9,10).
What are the key properties of 5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole?
5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole has a molecular weight of 1969.74 g/mol, XLogP of 21.86, 6 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indazole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;5-piperidin-2-yl-1H-indazole;5-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole is sourced from PubChem (CID 165071651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).