N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine

C26H28N4O3 — CID 58669912

IUPACN-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5c(c4)COC5)c3c2C)c(OC)c1
InChIInChI=1S/C26H28N4O3/c1-6-33-21-9-10-22(23(12-21)31-5)30-16(3)24-15(2)28-29-26(25(24)17(30)4)27-20-8-7-18-13-32-14-19(18)11-20/h7-12H,6,13-14H2,1-5H3,(H,27,29)
InChIKeyWFMOMFCSTRPZPJ-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.53
Rot. Bonds6

About N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine

N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 58669912) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID58669912
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5c(c4)COC5)c3c2C)c(OC)c1
InChIInChI=1S/C26H28N4O3/c1-6-33-21-9-10-22(23(12-21)31-5)30-16(3)24-15(2)28-29-26(25(24)17(30)4)27-20-8-7-18-13-32-14-19(18)11-20/h7-12H,6,13-14H2,1-5H3,(H,27,29)
InChIKeyWFMOMFCSTRPZPJ-UHFFFAOYSA-N
XLogP5.53
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine 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 N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (CID 58669912) is N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5c(c4)COC5)c3c2C)c(OC)c1.
What is the InChIKey of N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is WFMOMFCSTRPZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-6-33-21-9-10-22(23(12-21)31-5)30-16(3)24-15(2)28-29-26(25(24)17(30)4)27-20-8-7-18-13-32-14-19(18)11-20/h7-12H,6,13-14H2,1-5H3,(H,27,29).
What are the key properties of N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 444.54 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 58669912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).