5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane

C86H79BBr4N22O7S — CID 159411021

IUPAC5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane
SMILESCc1c(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)nn2C.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.[3H]CSN=C=O
InChIInChI=1S/C22H18N6O.C21H23BN4O2.C21H16N6O.2C7H7BrN2O.C6H5Br2N.C2H3NOS/c1-12-15(10-24-11-16(12)21(23)29)13-7-8-19-14(9-13)20(27-28(19)2)22-25-17-5-3-4-6-18(17)26-22;1-20(2)21(3,4)28-22(27-20)13-10-11-17-14(12-13)18(25-26(17)5)19-23-15-8-6-7-9-16(15)24-19;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;1-5-3-2-4/h3-11H,1-2H3,(H2,23,29)(H,25,26);6-12H,1-5H3,(H,23,24);2-10H,1H3,(H2,22,28)(H,24,25)(H,26,27);2*2-3H,1H3,(H2,9,11);2-3H,1H3;1H3/i;;;;;;1T
InChIKeyLOORPFMINJBLMR-FLCFRILYSA-N
MW1897.23 g/mol
LogP16.60
Rot. Bonds12

About 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane

5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane (PubChem CID 159411021) has the molecular formula C86H79BBr4N22O7S and a molecular weight of 1897.23 g/mol. Its IUPAC name is 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane.

Molecular Properties

Compound Name5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane
PubChem CID159411021
Molecular FormulaC86H79BBr4N22O7S
Molecular Weight1897.23 g/mol
Exact Mass1892.31
IUPAC Name5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane
SMILESCc1c(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)nn2C.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.[3H]CSN=C=O
InChIInChI=1S/C22H18N6O.C21H23BN4O2.C21H16N6O.2C7H7BrN2O.C6H5Br2N.C2H3NOS/c1-12-15(10-24-11-16(12)21(23)29)13-7-8-19-14(9-13)20(27-28(19)2)22-25-17-5-3-4-6-18(17)26-22;1-20(2)21(3,4)28-22(27-20)13-10-11-17-14(12-13)18(25-26(17)5)19-23-15-8-6-7-9-16(15)24-19;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;1-5-3-2-4/h3-11H,1-2H3,(H2,23,29)(H,25,26);6-12H,1-5H3,(H,23,24);2-10H,1H3,(H2,22,28)(H,24,25)(H,26,27);2*2-3H,1H3,(H2,9,11);2-3H,1H3;1H3/i;;;;;;1T
InChIKeyLOORPFMINJBLMR-FLCFRILYSA-N
XLogP16.60
TPSA435.06 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001897.23
LogP ≤ 516.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane with MolForge

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Related Compounds

N-[5-[6-fluoro-7-[4-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034654
N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137098472
N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137122417
ethane;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 144667696
ethane;N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide;7-(4-fluorophenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 145650682
N,N-dimethyl-5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 157070281
5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide;N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 157100384
2,2-dimethyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;methane;5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide;N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 157105909
CID 157121234
CID 157121234
3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde
CID 157132546
2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide
CID 157146322
N,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;2-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;2-phenyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 157197452

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane?
The IUPAC name of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane (CID 159411021) is 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane.
What is the SMILES notation for 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane?
The canonical SMILES for 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane is 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)nn2C.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.[3H]CSN=C=O.
What is the InChIKey of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane?
The InChIKey is LOORPFMINJBLMR-FLCFRILYSA-N. The full InChI is InChI=1S/C22H18N6O.C21H23BN4O2.C21H16N6O.2C7H7BrN2O.C6H5Br2N.C2H3NOS/c1-12-15(10-24-11-16(12)21(23)29)13-7-8-19-14(9-13)20(27-28(19)2)22-25-17-5-3-4-6-18(17)26-22;1-20(2)21(3,4)28-22(27-20)13-10-11-17-14(12-13)18(25-26(17)5)19-23-15-8-6-7-9-16(15)24-19;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;1-5-3-2-4/h3-11H,1-2H3,(H2,23,29)(H,25,26);6-12H,1-5H3,(H,23,24);2-10H,1H3,(H2,22,28)(H,24,25)(H,26,27);2*2-3H,1H3,(H2,9,11);2-3H,1H3;1H3/i;;;;;;1T.
What are the key properties of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane?
5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane has a molecular weight of 1897.23 g/mol, XLogP of 16.60, 12 rotatable bonds, 8 hydrogen bond donors, and 22 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;5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(5-bromo-4-methylpyridine-3-carboxamide);3,5-dibromo-4-methylpyridine;isocyanatosulfanyl(tritio)methane is sourced from PubChem (CID 159411021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).