3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride

C48H40ClN9O2 — CID 158834769

IUPAC3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride
SMILESCOc1cccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.Cc1c(O)cccc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cl.c1ccncc1
InChIInChI=1S/C22H18N4O.C21H16N4O.C5H5N.ClH/c1-13-15(6-5-9-20(13)27-2)14-10-11-17-16(12-14)21(26-25-17)22-23-18-7-3-4-8-19(18)24-22;1-12-14(5-4-8-19(12)26)13-9-10-16-15(11-13)20(25-24-16)21-22-17-6-2-3-7-18(17)23-21;1-2-4-6-5-3-1;/h3-12H,1-2H3,(H,23,24)(H,25,26);2-11,26H,1H3,(H,22,23)(H,24,25);1-5H;1H
InChIKeyIPTPNTBDBDGVFO-UHFFFAOYSA-N
MW810.36 g/mol
LogP11.38
Rot. Bonds5

About 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride

3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride (PubChem CID 158834769) has the molecular formula C48H40ClN9O2 and a molecular weight of 810.36 g/mol. Its IUPAC name is 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride.

Molecular Properties

Compound Name3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride
PubChem CID158834769
Molecular FormulaC48H40ClN9O2
Molecular Weight810.36 g/mol
Exact Mass809.30
IUPAC Name3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride
SMILESCOc1cccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.Cc1c(O)cccc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cl.c1ccncc1
InChIInChI=1S/C22H18N4O.C21H16N4O.C5H5N.ClH/c1-13-15(6-5-9-20(13)27-2)14-10-11-17-16(12-14)21(26-25-17)22-23-18-7-3-4-8-19(18)24-22;1-12-14(5-4-8-19(12)26)13-9-10-16-15(11-13)20(25-24-16)21-22-17-6-2-3-7-18(17)23-21;1-2-4-6-5-3-1;/h3-12H,1-2H3,(H,23,24)(H,25,26);2-11,26H,1H3,(H,22,23)(H,24,25);1-5H;1H
InChIKeyIPTPNTBDBDGVFO-UHFFFAOYSA-N
XLogP11.38
TPSA157.07 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.36
LogP ≤ 511.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-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

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
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
N-[[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136937082
5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 136937083
5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 136937088
1-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136937089
4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136937090

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride?
The IUPAC name of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride (CID 158834769) is 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride.
What is the SMILES notation for 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride?
The canonical SMILES for 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride is COc1cccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.Cc1c(O)cccc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cl.c1ccncc1.
What is the InChIKey of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride?
The InChIKey is IPTPNTBDBDGVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O.C21H16N4O.C5H5N.ClH/c1-13-15(6-5-9-20(13)27-2)14-10-11-17-16(12-14)21(26-25-17)22-23-18-7-3-4-8-19(18)24-22;1-12-14(5-4-8-19(12)26)13-9-10-16-15(11-13)20(25-24-16)21-22-17-6-2-3-7-18(17)23-21;1-2-4-6-5-3-1;/h3-12H,1-2H3,(H,23,24)(H,25,26);2-11,26H,1H3,(H,22,23)(H,24,25);1-5H;1H.
What are the key properties of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride?
3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride has a molecular weight of 810.36 g/mol, XLogP of 11.38, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;pyridine;hydrochloride is sourced from PubChem (CID 158834769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).