4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride

C46H36ClN9O4 — CID 158243429

IUPAC4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride
SMILESCOc1cc(O)ccc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1.Cl.Oc1ccc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c(O)c1.c1ccncc1
InChIInChI=1S/C21H16N4O2.C20H14N4O2.C5H5N.ClH/c1-27-19-11-13(26)7-9-14(19)12-6-8-15-18(10-12)24-25-20(15)21-22-16-4-2-3-5-17(16)23-21;25-12-6-8-13(18(26)10-12)11-5-7-14-17(9-11)23-24-19(14)20-21-15-3-1-2-4-16(15)22-20;1-2-4-6-5-3-1;/h2-11,26H,1H3,(H,22,23)(H,24,25);1-10,25-26H,(H,21,22)(H,23,24);1-5H;1H
InChIKeyTZWYRPALGQWGIZ-UHFFFAOYSA-N
MW814.31 g/mol
LogP10.18
Rot. Bonds5

About 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride

4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride (PubChem CID 158243429) has the molecular formula C46H36ClN9O4 and a molecular weight of 814.31 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride
PubChem CID158243429
Molecular FormulaC46H36ClN9O4
Molecular Weight814.31 g/mol
Exact Mass813.26
IUPAC Name4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride
SMILESCOc1cc(O)ccc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1.Cl.Oc1ccc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c(O)c1.c1ccncc1
InChIInChI=1S/C21H16N4O2.C20H14N4O2.C5H5N.ClH/c1-27-19-11-13(26)7-9-14(19)12-6-8-15-18(10-12)24-25-20(15)21-22-16-4-2-3-5-17(16)23-21;25-12-6-8-13(18(26)10-12)11-5-7-14-17(9-11)23-24-19(14)20-21-15-3-1-2-4-16(15)22-20;1-2-4-6-5-3-1;/h2-11,26H,1H3,(H,22,23)(H,24,25);1-10,25-26H,(H,21,22)(H,23,24);1-5H;1H
InChIKeyTZWYRPALGQWGIZ-UHFFFAOYSA-N
XLogP10.18
TPSA197.53 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500814.31
LogP ≤ 510.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indazole-benzimidazole, 1
CID 135839312
6-(2-methoxy-4-hydroxyphenyl)-3-1H-benzoimidazol-2-yl-1H-indazole
CID 135839295
Indazole-benzimidazole, 6
CID 135928474
3-methoxy-4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol
CID 135839307
4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol
CID 135839323
4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol
CID 135839330
4-[3-[6-(dimethylamino)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]-3-methoxyphenol
CID 136115596
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-phenoxyphenol
CID 136164949
2-(3,5-Dimethoxyphenethyl)-6-(1-methyl-1H-indazol-6-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 73057763
2-[1H-benzimidazol-2-yl-[5-methoxy-6-[4-(1-methylpiperidin-4-yl)phenyl]indazol-2-yl]methyl]-4-fluorophenol
CID 166509759
[3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol
CID 135685737
4-[3-[4-(3-hydroxypropyl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]-3-methoxyphenol
CID 136114069

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride (CID 158243429) is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride is COc1cc(O)ccc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1.Cl.Oc1ccc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c(O)c1.c1ccncc1.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride?
The InChIKey is TZWYRPALGQWGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2.C20H14N4O2.C5H5N.ClH/c1-27-19-11-13(26)7-9-14(19)12-6-8-15-18(10-12)24-25-20(15)21-22-16-4-2-3-5-17(16)23-21;25-12-6-8-13(18(26)10-12)11-5-7-14-17(9-11)23-24-19(14)20-21-15-3-1-2-4-16(15)22-20;1-2-4-6-5-3-1;/h2-11,26H,1H3,(H,22,23)(H,24,25);1-10,25-26H,(H,21,22)(H,23,24);1-5H;1H.
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride?
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride has a molecular weight of 814.31 g/mol, XLogP of 10.18, 5 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride is sourced from PubChem (CID 158243429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).