5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane

C96H103BBr4N22O9Si2 — CID 159432963

IUPAC5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane
SMILESCC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.CN=C=O.Cc1c(Br)cncc1Br.Cc1c(Br)cncc1C(N)=O.Cc1c(Br)cncc1C(N)=O.Cc1c(C(N)=O)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(C(N)=O)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C27H30N6O2Si.C26H35BN4O3Si.C21H16N6O.2C7H7BrN2O.C6H5Br2N.C2H3NO/c1-17-20(14-29-15-21(17)26(28)34)18-9-10-24-19(13-18)25(27-30-22-7-5-6-8-23(22)31-27)32-33(24)16-35-11-12-36(2,3)4;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;1-11-14(9-23-10-15(11)20(22)28)12-6-7-16-13(8-12)19(27-26-16)21-24-17-4-2-3-5-18(17)25-21;2*1-4-5(7(9)11)2-10-3-6(4)8;1-4-5(7)2-9-3-6(4)8;1-3-2-4/h5-10,13-15H,11-12,16H2,1-4H3,(H2,28,34)(H,30,31);8-13,16H,14-15,17H2,1-7H3,(H,28,29);2-10H,1H3,(H2,22,28)(H,24,25)(H,26,27);2*2-3H,1H3,(H2,9,11);2-3H,1H3;1H3
InChIKeyLRFGUKBCGROKMT-UHFFFAOYSA-N
MW2095.62 g/mol
LogP19.50
Rot. Bonds20

About 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane

5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane (PubChem CID 159432963) has the molecular formula C96H103BBr4N22O9Si2 and a molecular weight of 2095.62 g/mol. Its IUPAC name is 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane.

Molecular Properties

Compound Name5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane
PubChem CID159432963
Molecular FormulaC96H103BBr4N22O9Si2
Molecular Weight2095.62 g/mol
Exact Mass2090.46
IUPAC Name5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane
SMILESCC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.CN=C=O.Cc1c(Br)cncc1Br.Cc1c(Br)cncc1C(N)=O.Cc1c(Br)cncc1C(N)=O.Cc1c(C(N)=O)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(C(N)=O)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C27H30N6O2Si.C26H35BN4O3Si.C21H16N6O.2C7H7BrN2O.C6H5Br2N.C2H3NO/c1-17-20(14-29-15-21(17)26(28)34)18-9-10-24-19(13-18)25(27-30-22-7-5-6-8-23(22)31-27)32-33(24)16-35-11-12-36(2,3)4;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;1-11-14(9-23-10-15(11)20(22)28)12-6-7-16-13(8-12)19(27-26-16)21-24-17-4-2-3-5-18(17)25-21;2*1-4-5(7(9)11)2-10-3-6(4)8;1-4-5(7)2-9-3-6(4)8;1-3-2-4/h5-10,13-15H,11-12,16H2,1-4H3,(H2,28,34)(H,30,31);8-13,16H,14-15,17H2,1-7H3,(H,28,29);2-10H,1H3,(H2,22,28)(H,24,25)(H,26,27);2*2-3H,1H3,(H2,9,11);2-3H,1H3;1H3
InChIKeyLRFGUKBCGROKMT-UHFFFAOYSA-N
XLogP19.50
TPSA453.52 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms134
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002095.62
LogP ≤ 519.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane?
The IUPAC name of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane (CID 159432963) is 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane.
What is the SMILES notation for 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane?
The canonical SMILES for 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane is CC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.CN=C=O.Cc1c(Br)cncc1Br.Cc1c(Br)cncc1C(N)=O.Cc1c(Br)cncc1C(N)=O.Cc1c(C(N)=O)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(C(N)=O)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.
What is the InChIKey of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane?
The InChIKey is LRFGUKBCGROKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2Si.C26H35BN4O3Si.C21H16N6O.2C7H7BrN2O.C6H5Br2N.C2H3NO/c1-17-20(14-29-15-21(17)26(28)34)18-9-10-24-19(13-18)25(27-30-22-7-5-6-8-23(22)31-27)32-33(24)16-35-11-12-36(2,3)4;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;1-11-14(9-23-10-15(11)20(22)28)12-6-7-16-13(8-12)19(27-26-16)21-24-17-4-2-3-5-18(17)25-21;2*1-4-5(7(9)11)2-10-3-6(4)8;1-4-5(7)2-9-3-6(4)8;1-3-2-4/h5-10,13-15H,11-12,16H2,1-4H3,(H2,28,34)(H,30,31);8-13,16H,14-15,17H2,1-7H3,(H,28,29);2-10H,1H3,(H2,22,28)(H,24,25)(H,26,27);2*2-3H,1H3,(H2,9,11);2-3H,1H3;1H3.
What are the key properties of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane?
5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane has a molecular weight of 2095.62 g/mol, XLogP of 19.50, 20 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-4-methylpyridine-3-carboxamide;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;methylimino(oxo)methane is sourced from PubChem (CID 159432963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).