2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole

C25H25N7O — CID 135820313

IUPAC2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
SMILESCCOc1ccc2[nH]nc(-c3nc4ccc(N5CCN(c6ccccn6)CC5)cc4[nH]3)c2c1
InChIInChI=1S/C25H25N7O/c1-2-33-18-7-9-20-19(16-18)24(30-29-20)25-27-21-8-6-17(15-22(21)28-25)31-11-13-32(14-12-31)23-5-3-4-10-26-23/h3-10,15-16H,2,11-14H2,1H3,(H,27,28)(H,29,30)
InChIKeyJGTWJRINWPOEIJ-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.23
Rot. Bonds5

About 2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole

2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 135820313) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
PubChem CID135820313
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
SMILESCCOc1ccc2[nH]nc(-c3nc4ccc(N5CCN(c6ccccn6)CC5)cc4[nH]3)c2c1
InChIInChI=1S/C25H25N7O/c1-2-33-18-7-9-20-19(16-18)24(30-29-20)25-27-21-8-6-17(15-22(21)28-25)31-11-13-32(14-12-31)23-5-3-4-10-26-23/h3-10,15-16H,2,11-14H2,1H3,(H,27,28)(H,29,30)
InChIKeyJGTWJRINWPOEIJ-UHFFFAOYSA-N
XLogP4.23
TPSA85.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole 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

2-[[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]oxy]pyridine-3-carbonitrile
CID 135820485
3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820455
2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
CID 135900330
1-[4-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-1-methylpiperazin-2-yl]-N,N-dimethylmethanamine
CID 154053542
1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 135820363
2-[[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]oxy]pyridine-3-carbonitrile
CID 135819884
3-methoxy-5-[6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzene-1,2-diol
CID 162530804
2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 137133151
5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 90400944
3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820201
azane;2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 69083444
2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;tetrahydrate;trihydrochloride
CID 146675206

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole (CID 135820313) is 2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole is CCOc1ccc2[nH]nc(-c3nc4ccc(N5CCN(c6ccccn6)CC5)cc4[nH]3)c2c1.
What is the InChIKey of 2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is JGTWJRINWPOEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-2-33-18-7-9-20-19(16-18)24(30-29-20)25-27-21-8-6-17(15-22(21)28-25)31-11-13-32(14-12-31)23-5-3-4-10-26-23/h3-10,15-16H,2,11-14H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole?
2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 439.52 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 135820313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).