5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium

C167H253BBr4F13I4N29O22SV- — CID 167602654

IUPAC5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium
SMILESC.C.C.C.C.C.CC(C)(F)COS(=O)(=O)C(F)(F)F.CCC(C)(C)I.C[C-](C)C.C[C@@H]1CCC[C@@H](NC(=O)c2nn(C3CCCCO3)c3ccc(Br)cc23)C1.C[C@H]1C[C@H](N)CCN1C(=O)OC(C)(C)C.C[C@H]1C[C@H](NC(=O)c2n[nH]c3ccc(-c4cnn(C)c4)cc23)CCN1CC(C)(C)F.C[C@H]1C[C@H](NC(=O)c2nn(C3CCCCO3)c3ccc(-c4cnn(C)c4)cc23)CCN1CC(C)(C)F.C[C@H]1C[C@H](NC(=O)c2nn(C3CCCCO3)c3ccc(Br)cc23)CCN1C(=O)OC(C)(C)C.C[C@H]1C[C@H](NC(=O)c2nn(C3CCCCO3)c3ccc(Br)cc23)CCN1CC(C)(C)F.Cn1cc(B(O)O)cn1.I[V](I)I.O=C(O)c1nn(C2CCCCO2)c2ccc(Br)cc12.OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C27H37FN6O2.C24H33BrN4O4.C23H32BrFN4O2.C22H29FN6O.C20H26BrN3O2.C13H13BrN2O3.C11H22N2O2.C5H8F4O3S.C5H11I.C4H7BN2O2.C4H9.C3H2F6O.6CH4.3HI.V/c1-18-13-21(10-11-33(18)17-27(2,3)28)30-26(35)25-22-14-19(20-15-29-32(4)16-20)8-9-23(22)34(31-25)24-7-5-6-12-36-24;1-15-13-17(10-11-28(15)23(31)33-24(2,3)4)26-22(30)21-18-14-16(25)8-9-19(18)29(27-21)20-7-5-6-12-32-20;1-15-12-17(9-10-28(15)14-23(2,3)25)26-22(30)21-18-13-16(24)7-8-19(18)29(27-21)20-6-4-5-11-31-20;1-14-9-17(7-8-29(14)13-22(2,3)23)25-21(30)20-18-10-15(5-6-19(18)26-27-20)16-11-24-28(4)12-16;1-13-5-4-6-15(11-13)22-20(25)19-16-12-14(21)8-9-17(16)24(23-19)18-7-2-3-10-26-18;14-8-4-5-10-9(7-8)12(13(17)18)15-16(10)11-3-1-2-6-19-11;1-8-7-9(12)5-6-13(8)10(14)15-11(2,3)4;1-4(2,6)3-12-13(10,11)5(7,8)9;1-4-5(2,3)6;1-7-3-4(2-6-7)5(8)9;1-4(2)3;4-2(5,6)1(10)3(7,8)9;;;;;;;;;;/h8-9,14-16,18,21,24H,5-7,10-13,17H2,1-4H3,(H,30,35);8-9,14-15,17,20H,5-7,10-13H2,1-4H3,(H,26,30);7-8,13,15,17,20H,4-6,9-12,14H2,1-3H3,(H,26,30);5-6,10-12,14,17H,7-9,13H2,1-4H3,(H,25,30)(H,26,27);8-9,12-13,15,18H,2-7,10-11H2,1H3,(H,22,25);4-5,7,11H,1-3,6H2,(H,17,18);8-9H,5-7,12H2,1-4H3;3H2,1-2H3;4H2,1-3H3;2-3,8-9H,1H3;1-3H3;1,10H;6*1H4;3*1H;/q;;;;;;;;;;-1;;;;;;;;;;;+3/p-3/t18-,21+,24?;2*15-,17+,20?;14-,17+;13-,15-,18?;;8-,9+;;;;;;;;;;;;;;;/m00001.0.............../s1
InChIKeyKOVWMGFAIMMNAZ-VAYQDPLMSA-K
MW4187.07 g/mol
LogP39.22
Rot. Bonds29

About 5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium

5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium (PubChem CID 167602654) has the molecular formula C167H253BBr4F13I4N29O22SV- and a molecular weight of 4187.07 g/mol. Its IUPAC name is 5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium.

Molecular Properties

Compound Name5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium
PubChem CID167602654
Molecular FormulaC167H253BBr4F13I4N29O22SV-
Molecular Weight4187.07 g/mol
Exact Mass4181.15
IUPAC Name5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium
SMILESC.C.C.C.C.C.CC(C)(F)COS(=O)(=O)C(F)(F)F.CCC(C)(C)I.C[C-](C)C.C[C@@H]1CCC[C@@H](NC(=O)c2nn(C3CCCCO3)c3ccc(Br)cc23)C1.C[C@H]1C[C@H](N)CCN1C(=O)OC(C)(C)C.C[C@H]1C[C@H](NC(=O)c2n[nH]c3ccc(-c4cnn(C)c4)cc23)CCN1CC(C)(C)F.C[C@H]1C[C@H](NC(=O)c2nn(C3CCCCO3)c3ccc(-c4cnn(C)c4)cc23)CCN1CC(C)(C)F.C[C@H]1C[C@H](NC(=O)c2nn(C3CCCCO3)c3ccc(Br)cc23)CCN1C(=O)OC(C)(C)C.C[C@H]1C[C@H](NC(=O)c2nn(C3CCCCO3)c3ccc(Br)cc23)CCN1CC(C)(C)F.Cn1cc(B(O)O)cn1.I[V](I)I.O=C(O)c1nn(C2CCCCO2)c2ccc(Br)cc12.OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C27H37FN6O2.C24H33BrN4O4.C23H32BrFN4O2.C22H29FN6O.C20H26BrN3O2.C13H13BrN2O3.C11H22N2O2.C5H8F4O3S.C5H11I.C4H7BN2O2.C4H9.C3H2F6O.6CH4.3HI.V/c1-18-13-21(10-11-33(18)17-27(2,3)28)30-26(35)25-22-14-19(20-15-29-32(4)16-20)8-9-23(22)34(31-25)24-7-5-6-12-36-24;1-15-13-17(10-11-28(15)23(31)33-24(2,3)4)26-22(30)21-18-14-16(25)8-9-19(18)29(27-21)20-7-5-6-12-32-20;1-15-12-17(9-10-28(15)14-23(2,3)25)26-22(30)21-18-13-16(24)7-8-19(18)29(27-21)20-6-4-5-11-31-20;1-14-9-17(7-8-29(14)13-22(2,3)23)25-21(30)20-18-10-15(5-6-19(18)26-27-20)16-11-24-28(4)12-16;1-13-5-4-6-15(11-13)22-20(25)19-16-12-14(21)8-9-17(16)24(23-19)18-7-2-3-10-26-18;14-8-4-5-10-9(7-8)12(13(17)18)15-16(10)11-3-1-2-6-19-11;1-8-7-9(12)5-6-13(8)10(14)15-11(2,3)4;1-4(2,6)3-12-13(10,11)5(7,8)9;1-4-5(2,3)6;1-7-3-4(2-6-7)5(8)9;1-4(2)3;4-2(5,6)1(10)3(7,8)9;;;;;;;;;;/h8-9,14-16,18,21,24H,5-7,10-13,17H2,1-4H3,(H,30,35);8-9,14-15,17,20H,5-7,10-13H2,1-4H3,(H,26,30);7-8,13,15,17,20H,4-6,9-12,14H2,1-3H3,(H,26,30);5-6,10-12,14,17H,7-9,13H2,1-4H3,(H,25,30)(H,26,27);8-9,12-13,15,18H,2-7,10-11H2,1H3,(H,22,25);4-5,7,11H,1-3,6H2,(H,17,18);8-9H,5-7,12H2,1-4H3;3H2,1-2H3;4H2,1-3H3;2-3,8-9H,1H3;1-3H3;1,10H;6*1H4;3*1H;/q;;;;;;;;;;-1;;;;;;;;;;;+3/p-3/t18-,21+,24?;2*15-,17+,20?;14-,17+;13-,15-,18?;;8-,9+;;;;;;;;;;;;;;;/m00001.0.............../s1
InChIKeyKOVWMGFAIMMNAZ-VAYQDPLMSA-K
XLogP39.22
TPSA599.07 Ų
H-Bond Donors11
H-Bond Acceptors42
Rotatable Bonds29
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004187.07
LogP ≤ 539.22
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium
CID 161797798
5-[5-(aminomethyl)-3-pyridinyl]-N-[5-(3-ethylphenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(aminomethyl)-3-pyridinyl]-N-[5-(3-propylphenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)-N-[5-(3-propylphenyl)-3-pyridinyl]indazole-3-carboxamide;tert-butyl 3-[5-[1-(oxan-2-yl)-3-[[5-(3-propylphenyl)-3-pyridinyl]carbamoyl]indazol-5-yl]-3-pyridinyl]propanoate;tert-butyl 3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propanoate;pentakis(carbon dioxide);2,2-diiodopropane;ethane;4,8,19,22,25,26-hexazahexacyclo[22.5.2.12,6.112,16.117,21.027,31]tetratriaconta-1(30),2,4,6(34),12(33),13,15,17(32),18,20,24,27(31),28-tridecaene-9,23-dione;2-iodopropane;methane;propane;5-(3-propylphenyl)pyridin-3-amine;1,2,2-triiodopropane;triiodovanadium;bis(vanadium)
CID 157335266
1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium
CID 157898284
5-bromo-N-[4-(difluoromethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine;4-(difluoromethoxy)aniline;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide;N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159090186
2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;iodoethane;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;propane;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;tetrakis(vanadium)
CID 159130821
2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium)
CID 159488627
1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium
CID 161013959
2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium)
CID 161478424
1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium
CID 161578537
2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;iodoethane;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;tris(vanadium)
CID 161945987

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium?
The IUPAC name of 5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium (CID 167602654) is 5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium.
What is the SMILES notation for 5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium?
The canonical SMILES for 5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium is C.C.C.C.C.C.CC(C)(F)COS(=O)(=O)C(F)(F)F.CCC(C)(C)I.C[C-](C)C.C[C@@H]1CCC[C@@H](NC(=O)c2nn(C3CCCCO3)c3ccc(Br)cc23)C1.C[C@H]1C[C@H](N)CCN1C(=O)OC(C)(C)C.C[C@H]1C[C@H](NC(=O)c2n[nH]c3ccc(-c4cnn(C)c4)cc23)CCN1CC(C)(C)F.C[C@H]1C[C@H](NC(=O)c2nn(C3CCCCO3)c3ccc(-c4cnn(C)c4)cc23)CCN1CC(C)(C)F.C[C@H]1C[C@H](NC(=O)c2nn(C3CCCCO3)c3ccc(Br)cc23)CCN1C(=O)OC(C)(C)C.C[C@H]1C[C@H](NC(=O)c2nn(C3CCCCO3)c3ccc(Br)cc23)CCN1CC(C)(C)F.Cn1cc(B(O)O)cn1.I[V](I)I.O=C(O)c1nn(C2CCCCO2)c2ccc(Br)cc12.OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium?
The InChIKey is KOVWMGFAIMMNAZ-VAYQDPLMSA-K. The full InChI is InChI=1S/C27H37FN6O2.C24H33BrN4O4.C23H32BrFN4O2.C22H29FN6O.C20H26BrN3O2.C13H13BrN2O3.C11H22N2O2.C5H8F4O3S.C5H11I.C4H7BN2O2.C4H9.C3H2F6O.6CH4.3HI.V/c1-18-13-21(10-11-33(18)17-27(2,3)28)30-26(35)25-22-14-19(20-15-29-32(4)16-20)8-9-23(22)34(31-25)24-7-5-6-12-36-24;1-15-13-17(10-11-28(15)23(31)33-24(2,3)4)26-22(30)21-18-14-16(25)8-9-19(18)29(27-21)20-7-5-6-12-32-20;1-15-12-17(9-10-28(15)14-23(2,3)25)26-22(30)21-18-13-16(24)7-8-19(18)29(27-21)20-6-4-5-11-31-20;1-14-9-17(7-8-29(14)13-22(2,3)23)25-21(30)20-18-10-15(5-6-19(18)26-27-20)16-11-24-28(4)12-16;1-13-5-4-6-15(11-13)22-20(25)19-16-12-14(21)8-9-17(16)24(23-19)18-7-2-3-10-26-18;14-8-4-5-10-9(7-8)12(13(17)18)15-16(10)11-3-1-2-6-19-11;1-8-7-9(12)5-6-13(8)10(14)15-11(2,3)4;1-4(2,6)3-12-13(10,11)5(7,8)9;1-4-5(2,3)6;1-7-3-4(2-6-7)5(8)9;1-4(2)3;4-2(5,6)1(10)3(7,8)9;;;;;;;;;;/h8-9,14-16,18,21,24H,5-7,10-13,17H2,1-4H3,(H,30,35);8-9,14-15,17,20H,5-7,10-13H2,1-4H3,(H,26,30);7-8,13,15,17,20H,4-6,9-12,14H2,1-3H3,(H,26,30);5-6,10-12,14,17H,7-9,13H2,1-4H3,(H,25,30)(H,26,27);8-9,12-13,15,18H,2-7,10-11H2,1H3,(H,22,25);4-5,7,11H,1-3,6H2,(H,17,18);8-9H,5-7,12H2,1-4H3;3H2,1-2H3;4H2,1-3H3;2-3,8-9H,1H3;1-3H3;1,10H;6*1H4;3*1H;/q;;;;;;;;;;-1;;;;;;;;;;;+3/p-3/t18-,21+,24?;2*15-,17+,20?;14-,17+;13-,15-,18?;;8-,9+;;;;;;;;;;;;;;;/m00001.0.............../s1.
What are the key properties of 5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium?
5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium has a molecular weight of 4187.07 g/mol, XLogP of 39.22, 29 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-N-[(1R,3R)-3-methylcyclohexyl]-1-(oxan-2-yl)indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;tert-butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate;tert-butyl (2S,4R)-4-[[5-bromo-1-(oxan-2-yl)indazole-3-carbonyl]amino]-2-methylpiperidine-1-carboxylate;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S,4R)-1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide;(2-fluoro-2-methylpropyl) trifluoromethanesulfonate;1,1,1,3,3,3-hexafluoropropan-2-ol;2-iodo-2-methylbutane;methane;2-methylpropane;(1-methylpyrazol-4-yl)boronic acid;triiodovanadium is sourced from PubChem (CID 167602654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).