2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole

C22H17Cl2N5O2 — CID 137133117

IUPAC2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)[nH]c2c1
InChIInChI=1S/C22H17Cl2N5O2/c1-11(20-15(23)9-25-10-16(20)24)31-13-4-5-17-14(7-13)21(29-28-17)22-26-18-6-3-12(30-2)8-19(18)27-22/h3-11H,1-2H3,(H,26,27)(H,28,29)
InChIKeyHUCPOBAORROUHT-UHFFFAOYSA-N
MW454.32 g/mol
LogP5.96
Rot. Bonds5

About 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole

2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole (PubChem CID 137133117) has the molecular formula C22H17Cl2N5O2 and a molecular weight of 454.32 g/mol. Its IUPAC name is 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole
PubChem CID137133117
Molecular FormulaC22H17Cl2N5O2
Molecular Weight454.32 g/mol
Exact Mass453.08
IUPAC Name2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)[nH]c2c1
InChIInChI=1S/C22H17Cl2N5O2/c1-11(20-15(23)9-25-10-16(20)24)31-13-4-5-17-14(7-13)21(29-28-17)22-26-18-6-3-12(30-2)8-19(18)27-22/h3-11H,1-2H3,(H,26,27)(H,28,29)
InChIKeyHUCPOBAORROUHT-UHFFFAOYSA-N
XLogP5.96
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.32
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-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

N-{4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}-5-{7H-pyrrolo[2,3-d]pyrimidin-4-yloxy}-1H-1,3-benzodiazol-2-amine
CID 17755214
6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine
CID 135401991
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 136211077
N-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 137133106
N-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide
CID 137133111
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 137133115
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 137133116
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-(1-methylpiperidin-4-yl)-1H-benzimidazole
CID 137133138
4-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]morpholine
CID 137133139
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-(2-methoxyethyl)-3H-benzimidazol-5-amine
CID 137133152
2-(4-{[3-chloro-4-(1H-indol-4-yloxy)phenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethanol
CID 25025888

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole (CID 137133117) is 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole is COc1ccc2nc(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)[nH]c2c1.
What is the InChIKey of 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole?
The InChIKey is HUCPOBAORROUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O2/c1-11(20-15(23)9-25-10-16(20)24)31-13-4-5-17-14(7-13)21(29-28-17)22-26-18-6-3-12(30-2)8-19(18)27-22/h3-11H,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole?
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole has a molecular weight of 454.32 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 137133117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).