5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide

C153H176B3BrI9N29O16V2-2 — CID 159408405

IUPAC5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide
SMILESC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.CCC(I)I.CCCI.I.II.I[V]I.Nc1cncc(-c2cccnc2)c1N.O=C(CCC1CC1)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.O=C(NCC1CC1)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.O=C(NCC1CC1)c1cncc(Br)c1.O=Cc1nn(C2CCCCO2)c2ccc(-c3cncc(C(=O)NCC4CC4)c3)cc12.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.[CH3-].[CH3-].[V]
InChIInChI=1S/C29H23N7O.C28H22N8O.C23H24N4O3.C19H25BN2O4.C13H13IN2O2.C12H24B2O4.C10H11BrN2O.C10H10N4.C3H6I2.C3H7I.CH4.2CH3.I2.3HI.2V/c37-26(8-5-17-3-4-17)21-10-20(13-31-14-21)18-6-7-24-22(11-18)28(36-35-24)29-33-25-16-32-15-23(27(25)34-29)19-2-1-9-30-12-19;37-28(32-10-16-3-4-16)20-8-19(12-30-13-20)17-5-6-23-21(9-17)26(36-35-23)27-33-24-15-31-14-22(25(24)34-27)18-2-1-7-29-11-18;28-14-20-19-10-16(6-7-21(19)27(26-20)22-3-1-2-8-30-22)17-9-18(13-24-12-17)23(29)25-11-15-4-5-15;1-18(2)19(3,4)26-20(25-18)13-8-9-16-14(11-13)15(12-23)21-22(16)17-7-5-6-10-24-17;14-9-4-5-12-10(7-9)11(8-17)15-16(12)13-3-1-2-6-18-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-9-3-8(5-12-6-9)10(14)13-4-7-1-2-7;11-9-6-14-5-8(10(9)12)7-2-1-3-13-4-7;1-2-3(4)5;1-2-3-4;;;;1-2;;;;;/h1-2,6-7,9-17H,3-5,8H2,(H,33,34)(H,35,36);1-2,5-9,11-16H,3-4,10H2,(H,32,37)(H,33,34)(H,35,36);6-7,9-10,12-15,22H,1-5,8,11H2,(H,25,29);8-9,11-12,17H,5-7,10H2,1-4H3;4-5,7-8,13H,1-3,6H2;1-8H3;3,5-7H,1-2,4H2,(H,13,14);1-6H,11H2,(H2,12,14);3H,2H2,1H3;2-3H2,1H3;1H4;2*1H3;;3*1H;;/q;;;;;;;;;;;2*-1;;;;;;+2/p-2
InChIKeyKSWJICAOGATVFO-UHFFFAOYSA-L
MW4033.64 g/mol
LogP36.17
Rot. Bonds31

About 5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide

5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide (PubChem CID 159408405) has the molecular formula C153H176B3BrI9N29O16V2-2 and a molecular weight of 4033.64 g/mol. Its IUPAC name is 5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide.

Molecular Properties

Compound Name5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide
PubChem CID159408405
Molecular FormulaC153H176B3BrI9N29O16V2-2
Molecular Weight4033.64 g/mol
Exact Mass4031.36
IUPAC Name5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide
SMILESC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.CCC(I)I.CCCI.I.II.I[V]I.Nc1cncc(-c2cccnc2)c1N.O=C(CCC1CC1)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.O=C(NCC1CC1)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.O=C(NCC1CC1)c1cncc(Br)c1.O=Cc1nn(C2CCCCO2)c2ccc(-c3cncc(C(=O)NCC4CC4)c3)cc12.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.[CH3-].[CH3-].[V]
InChIInChI=1S/C29H23N7O.C28H22N8O.C23H24N4O3.C19H25BN2O4.C13H13IN2O2.C12H24B2O4.C10H11BrN2O.C10H10N4.C3H6I2.C3H7I.CH4.2CH3.I2.3HI.2V/c37-26(8-5-17-3-4-17)21-10-20(13-31-14-21)18-6-7-24-22(11-18)28(36-35-24)29-33-25-16-32-15-23(27(25)34-29)19-2-1-9-30-12-19;37-28(32-10-16-3-4-16)20-8-19(12-30-13-20)17-5-6-23-21(9-17)26(36-35-23)27-33-24-15-31-14-22(25(24)34-27)18-2-1-7-29-11-18;28-14-20-19-10-16(6-7-21(19)27(26-20)22-3-1-2-8-30-22)17-9-18(13-24-12-17)23(29)25-11-15-4-5-15;1-18(2)19(3,4)26-20(25-18)13-8-9-16-14(11-13)15(12-23)21-22(16)17-7-5-6-10-24-17;14-9-4-5-12-10(7-9)11(8-17)15-16(12)13-3-1-2-6-18-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-9-3-8(5-12-6-9)10(14)13-4-7-1-2-7;11-9-6-14-5-8(10(9)12)7-2-1-3-13-4-7;1-2-3(4)5;1-2-3-4;;;;1-2;;;;;/h1-2,6-7,9-17H,3-5,8H2,(H,33,34)(H,35,36);1-2,5-9,11-16H,3-4,10H2,(H,32,37)(H,33,34)(H,35,36);6-7,9-10,12-15,22H,1-5,8,11H2,(H,25,29);8-9,11-12,17H,5-7,10H2,1-4H3;4-5,7-8,13H,1-3,6H2;1-8H3;3,5-7H,1-2,4H2,(H,13,14);1-6H,11H2,(H2,12,14);3H,2H2,1H3;2-3H2,1H3;1H4;2*1H3;;3*1H;;/q;;;;;;;;;;;2*-1;;;;;;+2/p-2
InChIKeyKSWJICAOGATVFO-UHFFFAOYSA-L
XLogP36.17
TPSA587.77 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds31
Heavy Atoms213
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004033.64
LogP ≤ 536.17
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide?
The IUPAC name of 5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide (CID 159408405) is 5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide.
What is the SMILES notation for 5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide?
The canonical SMILES for 5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide is C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.CCC(I)I.CCCI.I.II.I[V]I.Nc1cncc(-c2cccnc2)c1N.O=C(CCC1CC1)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.O=C(NCC1CC1)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.O=C(NCC1CC1)c1cncc(Br)c1.O=Cc1nn(C2CCCCO2)c2ccc(-c3cncc(C(=O)NCC4CC4)c3)cc12.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.[CH3-].[CH3-].[V].
What is the InChIKey of 5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide?
The InChIKey is KSWJICAOGATVFO-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H23N7O.C28H22N8O.C23H24N4O3.C19H25BN2O4.C13H13IN2O2.C12H24B2O4.C10H11BrN2O.C10H10N4.C3H6I2.C3H7I.CH4.2CH3.I2.3HI.2V/c37-26(8-5-17-3-4-17)21-10-20(13-31-14-21)18-6-7-24-22(11-18)28(36-35-24)29-33-25-16-32-15-23(27(25)34-29)19-2-1-9-30-12-19;37-28(32-10-16-3-4-16)20-8-19(12-30-13-20)17-5-6-23-21(9-17)26(36-35-23)27-33-24-15-31-14-22(25(24)34-27)18-2-1-7-29-11-18;28-14-20-19-10-16(6-7-21(19)27(26-20)22-3-1-2-8-30-22)17-9-18(13-24-12-17)23(29)25-11-15-4-5-15;1-18(2)19(3,4)26-20(25-18)13-8-9-16-14(11-13)15(12-23)21-22(16)17-7-5-6-10-24-17;14-9-4-5-12-10(7-9)11(8-17)15-16(12)13-3-1-2-6-18-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-9-3-8(5-12-6-9)10(14)13-4-7-1-2-7;11-9-6-14-5-8(10(9)12)7-2-1-3-13-4-7;1-2-3(4)5;1-2-3-4;;;;1-2;;;;;/h1-2,6-7,9-17H,3-5,8H2,(H,33,34)(H,35,36);1-2,5-9,11-16H,3-4,10H2,(H,32,37)(H,33,34)(H,35,36);6-7,9-10,12-15,22H,1-5,8,11H2,(H,25,29);8-9,11-12,17H,5-7,10H2,1-4H3;4-5,7-8,13H,1-3,6H2;1-8H3;3,5-7H,1-2,4H2,(H,13,14);1-6H,11H2,(H2,12,14);3H,2H2,1H3;2-3H2,1H3;1H4;2*1H3;;3*1H;;/q;;;;;;;;;;;2*-1;;;;;;+2/p-2.
What are the key properties of 5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide?
5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide has a molecular weight of 4033.64 g/mol, XLogP of 36.17, 31 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopropylmethyl)pyridine-3-carboxamide;carbanide;N-(cyclopropylmethyl)-5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridine-3-carboxamide;3-cyclopropyl-1-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propan-1-one;1,1-diiodopropane;diiodovanadium;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-iodopropane;methane;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;5-pyridin-3-ylpyridine-3,4-diamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium;hydroiodide is sourced from PubChem (CID 159408405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).