6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole

C24H23ClN4O2 — CID 59845856

IUPAC6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole
SMILESCC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3cc4c[nH]n(C)c4cc3n2)o1
InChIInChI=1S/C24H23ClN4O2/c1-14(2)13-30-22-6-4-17(25)8-15(22)9-18-5-7-23(31-18)24-27-19-10-16-12-26-29(3)21(16)11-20(19)28-24/h4-8,10-12,14,26H,9,13H2,1-3H3
InChIKeyMDHPTJSXAJDILZ-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.99
Rot. Bonds6

About 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole

6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole (PubChem CID 59845856) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole.

Molecular Properties

Compound Name6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole
PubChem CID59845856
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole
SMILESCC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3cc4c[nH]n(C)c4cc3n2)o1
InChIInChI=1S/C24H23ClN4O2/c1-14(2)13-30-22-6-4-17(25)8-15(22)9-18-5-7-23(31-18)24-27-19-10-16-12-26-29(3)21(16)11-20(19)28-24/h4-8,10-12,14,26H,9,13H2,1-3H3
InChIKeyMDHPTJSXAJDILZ-UHFFFAOYSA-N
XLogP5.99
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole?
The IUPAC name of 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole (CID 59845856) is 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole.
What is the SMILES notation for 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole?
The canonical SMILES for 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole is CC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3cc4c[nH]n(C)c4cc3n2)o1.
What is the InChIKey of 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole?
The InChIKey is MDHPTJSXAJDILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-14(2)13-30-22-6-4-17(25)8-15(22)9-18-5-7-23(31-18)24-27-19-10-16-12-26-29(3)21(16)11-20(19)28-24/h4-8,10-12,14,26H,9,13H2,1-3H3.
What are the key properties of 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole?
6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole has a molecular weight of 434.93 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1-methyl-2H-imidazo[4,5-f]indazole is sourced from PubChem (CID 59845856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).