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

C23H21ClN4O2 — CID 59845854

IUPAC6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole
SMILESCC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3cc4c[nH][nH]c4cc3n2)o1
InChIInChI=1S/C23H21ClN4O2/c1-13(2)12-29-21-5-3-16(24)7-14(21)8-17-4-6-22(30-17)23-26-19-9-15-11-25-28-18(15)10-20(19)27-23/h3-7,9-11,13,25,28H,8,12H2,1-2H3
InChIKeyKETNACUYDUMGFA-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.98
Rot. Bonds6

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

6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole (PubChem CID 59845854) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole.

Molecular Properties

Compound Name6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole
PubChem CID59845854
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole
SMILESCC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3cc4c[nH][nH]c4cc3n2)o1
InChIInChI=1S/C23H21ClN4O2/c1-13(2)12-29-21-5-3-16(24)7-14(21)8-17-4-6-22(30-17)23-26-19-9-15-11-25-28-18(15)10-20(19)27-23/h3-7,9-11,13,25,28H,8,12H2,1-2H3
InChIKeyKETNACUYDUMGFA-UHFFFAOYSA-N
XLogP5.98
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole?
The IUPAC name of 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole (CID 59845854) is 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole.
What is the SMILES notation for 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole?
The canonical SMILES for 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole is CC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3cc4c[nH][nH]c4cc3n2)o1.
What is the InChIKey of 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole?
The InChIKey is KETNACUYDUMGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-13(2)12-29-21-5-3-16(24)7-14(21)8-17-4-6-22(30-17)23-26-19-9-15-11-25-28-18(15)10-20(19)27-23/h3-7,9-11,13,25,28H,8,12H2,1-2H3.
What are the key properties of 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole?
6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole has a molecular weight of 420.90 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1,2-dihydroimidazo[4,5-f]indazole is sourced from PubChem (CID 59845854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).