5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium

C58H56BBr2F2IN13O6V- — CID 159487595

IUPAC5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium
SMILESCC(C)(C)I.C[C-](C)C.Nc1cccnc1.O=C(Nc1cccnc1)c1c[nH]c2ccc(Br)cc12.O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(F)c3)cc12.O=C(O)c1n[nH]c2ccc(Br)cc12.OB(O)c1cncc(F)c1.[V]
InChIInChI=1S/C18H12FN5O.C14H10BrN3O.C8H5BrN2O2.C5H5BFNO2.C5H6N2.C4H9I.C4H9.V/c19-13-6-12(8-21-9-13)11-3-4-16-15(7-11)17(24-23-16)18(25)22-14-2-1-5-20-10-14;15-9-3-4-13-11(6-9)12(8-17-13)14(19)18-10-2-1-5-16-7-10;9-4-1-2-6-5(3-4)7(8(12)13)11-10-6;7-5-1-4(6(9)10)2-8-3-5;6-5-2-1-3-7-4-5;1-4(2,3)5;1-4(2)3;/h1-10H,(H,22,25)(H,23,24);1-8,17H,(H,18,19);1-3H,(H,10,11)(H,12,13);1-3,9-10H;1-4H,6H2;1-3H3;1-3H3;/q;;;;;;-1;
InChIKeyZPTCIVZZVNYYCF-UHFFFAOYSA-N
MW1417.63 g/mol
LogP12.41
Rot. Bonds7

About 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium

5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium (PubChem CID 159487595) has the molecular formula C58H56BBr2F2IN13O6V- and a molecular weight of 1417.63 g/mol. Its IUPAC name is 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium.

Molecular Properties

Compound Name5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium
PubChem CID159487595
Molecular FormulaC58H56BBr2F2IN13O6V-
Molecular Weight1417.63 g/mol
Exact Mass1415.14
IUPAC Name5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium
SMILESCC(C)(C)I.C[C-](C)C.Nc1cccnc1.O=C(Nc1cccnc1)c1c[nH]c2ccc(Br)cc12.O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(F)c3)cc12.O=C(O)c1n[nH]c2ccc(Br)cc12.OB(O)c1cncc(F)c1.[V]
InChIInChI=1S/C18H12FN5O.C14H10BrN3O.C8H5BrN2O2.C5H5BFNO2.C5H6N2.C4H9I.C4H9.V/c19-13-6-12(8-21-9-13)11-3-4-16-15(7-11)17(24-23-16)18(25)22-14-2-1-5-20-10-14;15-9-3-4-13-11(6-9)12(8-17-13)14(19)18-10-2-1-5-16-7-10;9-4-1-2-6-5(3-4)7(8(12)13)11-10-6;7-5-1-4(6(9)10)2-8-3-5;6-5-2-1-3-7-4-5;1-4(2,3)5;1-4(2)3;/h1-10H,(H,22,25)(H,23,24);1-8,17H,(H,18,19);1-3H,(H,10,11)(H,12,13);1-3,9-10H;1-4H,6H2;1-3H3;1-3H3;/q;;;;;;-1;
InChIKeyZPTCIVZZVNYYCF-UHFFFAOYSA-N
XLogP12.41
TPSA299.58 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001417.63
LogP ≤ 512.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

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'}

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Related Compounds

5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol
CID 160786731
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
5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium)
CID 157409353
5-bromo-1H-indazole-3-carboxylic acid;6-bromo-N-pyridin-3-yl-3H-indene-1-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium
CID 157912402
5-bromo-2-fluorobenzoic acid;5-bromo-2-fluoro-N,N-dimethylbenzamide;(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone;5-bromo-3-(1H-pyrrol-2-yl)-1H-indazole;5-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1H-indazole
CID 158151177
5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium)
CID 158825539
5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;pyridin-3-amine;vanadium
CID 159467286
5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium
CID 160581177
5-bromo-3-(5-fluoro-2-pyridinyl)-1H-indazole;tert-butyl 4-aminopiperidine-1-carboxylate;3-(5-fluoro-2-pyridinyl)-1H-indazole-5-carboxylic acid;3-(5-fluoro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-5-carboxamide;3-(5-fluoro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-isoindole-5-carboxamide;3-(5-fluoro-2-pyridinyl)-N-piperidin-4-yl-1H-indazole-5-carboxamide
CID 161233428

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium?
The IUPAC name of 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium (CID 159487595) is 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium.
What is the SMILES notation for 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium?
The canonical SMILES for 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium is CC(C)(C)I.C[C-](C)C.Nc1cccnc1.O=C(Nc1cccnc1)c1c[nH]c2ccc(Br)cc12.O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(F)c3)cc12.O=C(O)c1n[nH]c2ccc(Br)cc12.OB(O)c1cncc(F)c1.[V].
What is the InChIKey of 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium?
The InChIKey is ZPTCIVZZVNYYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O.C14H10BrN3O.C8H5BrN2O2.C5H5BFNO2.C5H6N2.C4H9I.C4H9.V/c19-13-6-12(8-21-9-13)11-3-4-16-15(7-11)17(24-23-16)18(25)22-14-2-1-5-20-10-14;15-9-3-4-13-11(6-9)12(8-17-13)14(19)18-10-2-1-5-16-7-10;9-4-1-2-6-5(3-4)7(8(12)13)11-10-6;7-5-1-4(6(9)10)2-8-3-5;6-5-2-1-3-7-4-5;1-4(2,3)5;1-4(2)3;/h1-10H,(H,22,25)(H,23,24);1-8,17H,(H,18,19);1-3H,(H,10,11)(H,12,13);1-3,9-10H;1-4H,6H2;1-3H3;1-3H3;/q;;;;;;-1;.
What are the key properties of 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium?
5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium has a molecular weight of 1417.63 g/mol, XLogP of 12.41, 7 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium is sourced from PubChem (CID 159487595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).