4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride

C46H36ClN9O2 — CID 157056414

IUPAC4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride
SMILESCOc1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1.Cl.Oc1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1.c1ccncc1
InChIInChI=1S/C21H16N4O.C20H14N4O.C5H5N.ClH/c1-26-15-9-6-13(7-10-15)14-8-11-17-16(12-14)20(25-24-17)21-22-18-4-2-3-5-19(18)23-21;25-14-8-5-12(6-9-14)13-7-10-16-15(11-13)19(24-23-16)20-21-17-3-1-2-4-18(17)22-20;1-2-4-6-5-3-1;/h2-12H,1H3,(H,22,23)(H,24,25);1-11,25H,(H,21,22)(H,23,24);1-5H;1H
InChIKeyCMMMQGJAGIQIMQ-UHFFFAOYSA-N
MW782.31 g/mol
LogP10.76
Rot. Bonds5

About 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride

4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride (PubChem CID 157056414) has the molecular formula C46H36ClN9O2 and a molecular weight of 782.31 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride
PubChem CID157056414
Molecular FormulaC46H36ClN9O2
Molecular Weight782.31 g/mol
Exact Mass781.27
IUPAC Name4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride
SMILESCOc1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1.Cl.Oc1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1.c1ccncc1
InChIInChI=1S/C21H16N4O.C20H14N4O.C5H5N.ClH/c1-26-15-9-6-13(7-10-15)14-8-11-17-16(12-14)20(25-24-17)21-22-18-4-2-3-5-19(18)23-21;25-14-8-5-12(6-9-14)13-7-10-16-15(11-13)19(24-23-16)20-21-17-3-1-2-4-18(17)22-20;1-2-4-6-5-3-1;/h2-12H,1H3,(H,22,23)(H,24,25);1-11,25H,(H,21,22)(H,23,24);1-5H;1H
InChIKeyCMMMQGJAGIQIMQ-UHFFFAOYSA-N
XLogP10.76
TPSA157.07 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.31
LogP ≤ 510.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;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

4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol
CID 135839323
5-(3-(1H-Benzo[D]imidazol-2-YL)-1H-indazol-5-YL)-4-methylpyridin-3-OL
CID 135484456
US9745311, Example 70
CID 73058326
2-[1H-benzimidazol-2-yl-[5-methoxy-6-[4-(1-methylpiperidin-4-yl)phenyl]indazol-2-yl]methyl]-4-fluorophenol
CID 166509759
5-Ethyl-2-fluoro-4-{3-[5-(6-phenoxy-pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-phenol
CID 136263979
4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936764
4-(2-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936789
N-[3-fluoro-5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136937024
2-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 136937045
2-[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 136937058
2-[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 136937065
2-[3-fluoro-5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 136937070

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride (CID 157056414) is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride is COc1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1.Cl.Oc1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1.c1ccncc1.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride?
The InChIKey is CMMMQGJAGIQIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O.C20H14N4O.C5H5N.ClH/c1-26-15-9-6-13(7-10-15)14-8-11-17-16(12-14)20(25-24-17)21-22-18-4-2-3-5-19(18)23-21;25-14-8-5-12(6-9-14)13-7-10-16-15(11-13)19(24-23-16)20-21-17-3-1-2-4-18(17)22-20;1-2-4-6-5-3-1;/h2-12H,1H3,(H,22,23)(H,24,25);1-11,25H,(H,21,22)(H,23,24);1-5H;1H.
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride?
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride has a molecular weight of 782.31 g/mol, XLogP of 10.76, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;pyridine;hydrochloride is sourced from PubChem (CID 157056414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).