1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide

C154H201B3BrI10N30O17V-2 — CID 157098368

IUPAC1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide
SMILESC.CC(C)CC(=O)Cc1cncc(Br)c1.CC(C)CC(=O)Nc1cccc(-c2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCN(C)CC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3c(c2)C(c2nc4c(N5CCN(C)CC5)cncc4[nH]2)=NC3C2CCCCO2)c1.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.CN1CCN(c2cncc(N)c2N)CC1.I.II.I[I-]I.I[V](I)I.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.[CH2-]C
InChIInChI=1S/C34H40N8O2.C28H31N9O.C24H27N3O3.C19H25BN2O4.C13H13IN2O2.C12H24B2O4.C11H14BrNO.C10H17N5.C2H5.CH4.I3.I2.4HI.V/c1-21(2)14-30(43)37-24-15-23(17-35-18-24)22-7-8-25-26(16-22)32(39-31(25)29-6-4-5-13-44-29)34-38-27-19-36-20-28(33(27)40-34)42-11-9-41(3)10-12-42;1-17(2)10-25(38)31-20-11-19(13-29-14-20)18-4-5-22-21(12-18)26(35-34-22)28-32-23-15-30-16-24(27(23)33-28)37-8-6-36(3)7-9-37;1-16(2)12-23(29)25-19-7-5-6-17(13-19)18-9-10-22-20(14-18)21(15-28)26-27(22)24-8-3-4-11-30-24;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;1-8(2)3-11(14)5-9-4-10(12)7-13-6-9;1-14-2-4-15(5-3-14)9-7-13-6-8(11)10(9)12;1-2;;1-3-2;1-2;;;;;/h7-8,15-21,29,31H,4-6,9-14H2,1-3H3,(H,37,43)(H,38,40);4-5,11-17H,6-10H2,1-3H3,(H,31,38)(H,32,33)(H,34,35);5-7,9-10,13-16,24H,3-4,8,11-12H2,1-2H3,(H,25,29);8-9,11-12,17H,5-7,10H2,1-4H3;4-5,7-8,13H,1-3,6H2;1-8H3;4,6-8H,3,5H2,1-2H3;6-7H,2-5,11H2,1H3,(H2,12,13);1H2,2H3;1H4;;;4*1H;/q;;;;;;;;-1;;-1;;;;;;+3/p-3
InChIKeyXYAMMCKHOBHRBC-UHFFFAOYSA-K
MW4176.82 g/mol
LogP31.26
Rot. Bonds30

About 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide

1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide (PubChem CID 157098368) has the molecular formula C154H201B3BrI10N30O17V-2 and a molecular weight of 4176.82 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide
PubChem CID157098368
Molecular FormulaC154H201B3BrI10N30O17V-2
Molecular Weight4176.82 g/mol
Exact Mass4174.51
IUPAC Name1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide
SMILESC.CC(C)CC(=O)Cc1cncc(Br)c1.CC(C)CC(=O)Nc1cccc(-c2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCN(C)CC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3c(c2)C(c2nc4c(N5CCN(C)CC5)cncc4[nH]2)=NC3C2CCCCO2)c1.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.CN1CCN(c2cncc(N)c2N)CC1.I.II.I[I-]I.I[V](I)I.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.[CH2-]C
InChIInChI=1S/C34H40N8O2.C28H31N9O.C24H27N3O3.C19H25BN2O4.C13H13IN2O2.C12H24B2O4.C11H14BrNO.C10H17N5.C2H5.CH4.I3.I2.4HI.V/c1-21(2)14-30(43)37-24-15-23(17-35-18-24)22-7-8-25-26(16-22)32(39-31(25)29-6-4-5-13-44-29)34-38-27-19-36-20-28(33(27)40-34)42-11-9-41(3)10-12-42;1-17(2)10-25(38)31-20-11-19(13-29-14-20)18-4-5-22-21(12-18)26(35-34-22)28-32-23-15-30-16-24(27(23)33-28)37-8-6-36(3)7-9-37;1-16(2)12-23(29)25-19-7-5-6-17(13-19)18-9-10-22-20(14-18)21(15-28)26-27(22)24-8-3-4-11-30-24;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;1-8(2)3-11(14)5-9-4-10(12)7-13-6-9;1-14-2-4-15(5-3-14)9-7-13-6-8(11)10(9)12;1-2;;1-3-2;1-2;;;;;/h7-8,15-21,29,31H,4-6,9-14H2,1-3H3,(H,37,43)(H,38,40);4-5,11-17H,6-10H2,1-3H3,(H,31,38)(H,32,33)(H,34,35);5-7,9-10,13-16,24H,3-4,8,11-12H2,1-2H3,(H,25,29);8-9,11-12,17H,5-7,10H2,1-4H3;4-5,7-8,13H,1-3,6H2;1-8H3;4,6-8H,3,5H2,1-2H3;6-7H,2-5,11H2,1H3,(H2,12,13);1H2,2H3;1H4;;;4*1H;/q;;;;;;;;-1;;-1;;;;;;+3/p-3
InChIKeyXYAMMCKHOBHRBC-UHFFFAOYSA-K
XLogP31.26
TPSA548.56 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds30
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004176.82
LogP ≤ 531.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide (CID 157098368) is 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide is C.CC(C)CC(=O)Cc1cncc(Br)c1.CC(C)CC(=O)Nc1cccc(-c2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCN(C)CC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3c(c2)C(c2nc4c(N5CCN(C)CC5)cncc4[nH]2)=NC3C2CCCCO2)c1.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.CN1CCN(c2cncc(N)c2N)CC1.I.II.I[I-]I.I[V](I)I.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.[CH2-]C.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide?
The InChIKey is XYAMMCKHOBHRBC-UHFFFAOYSA-K. The full InChI is InChI=1S/C34H40N8O2.C28H31N9O.C24H27N3O3.C19H25BN2O4.C13H13IN2O2.C12H24B2O4.C11H14BrNO.C10H17N5.C2H5.CH4.I3.I2.4HI.V/c1-21(2)14-30(43)37-24-15-23(17-35-18-24)22-7-8-25-26(16-22)32(39-31(25)29-6-4-5-13-44-29)34-38-27-19-36-20-28(33(27)40-34)42-11-9-41(3)10-12-42;1-17(2)10-25(38)31-20-11-19(13-29-14-20)18-4-5-22-21(12-18)26(35-34-22)28-32-23-15-30-16-24(27(23)33-28)37-8-6-36(3)7-9-37;1-16(2)12-23(29)25-19-7-5-6-17(13-19)18-9-10-22-20(14-18)21(15-28)26-27(22)24-8-3-4-11-30-24;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;1-8(2)3-11(14)5-9-4-10(12)7-13-6-9;1-14-2-4-15(5-3-14)9-7-13-6-8(11)10(9)12;1-2;;1-3-2;1-2;;;;;/h7-8,15-21,29,31H,4-6,9-14H2,1-3H3,(H,37,43)(H,38,40);4-5,11-17H,6-10H2,1-3H3,(H,31,38)(H,32,33)(H,34,35);5-7,9-10,13-16,24H,3-4,8,11-12H2,1-2H3,(H,25,29);8-9,11-12,17H,5-7,10H2,1-4H3;4-5,7-8,13H,1-3,6H2;1-8H3;4,6-8H,3,5H2,1-2H3;6-7H,2-5,11H2,1H3,(H2,12,13);1H2,2H3;1H4;;;4*1H;/q;;;;;;;;-1;;-1;;;;;;+3/p-3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide?
1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide has a molecular weight of 4176.82 g/mol, XLogP of 31.26, 30 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[3-[3-formyl-1-(oxan-2-yl)indazol-5-yl]phenyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-1H-isoindol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide;hydroiodide is sourced from PubChem (CID 157098368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).