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

C33H36N4O2 — CID 58669892

IUPACN-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCCC(c4ccccc4)c4ccccc4)c3c2C)c(OC)c1
InChIInChI=1S/C33H36N4O2/c1-6-39-27-17-18-29(30(21-27)38-5)37-23(3)31-22(2)35-36-33(32(31)24(37)4)34-20-19-28(25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-18,21,28H,6,19-20H2,1-5H3,(H,34,36)
InChIKeyCFMDEDFLPXYNGE-UHFFFAOYSA-N
MW520.68 g/mol
LogP7.39
Rot. Bonds10

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

N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 58669892) has the molecular formula C33H36N4O2 and a molecular weight of 520.68 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID58669892
Molecular FormulaC33H36N4O2
Molecular Weight520.68 g/mol
Exact Mass520.28
IUPAC NameN-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCCC(c4ccccc4)c4ccccc4)c3c2C)c(OC)c1
InChIInChI=1S/C33H36N4O2/c1-6-39-27-17-18-29(30(21-27)38-5)37-23(3)31-22(2)35-36-33(32(31)24(37)4)34-20-19-28(25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-18,21,28H,6,19-20H2,1-5H3,(H,34,36)
InChIKeyCFMDEDFLPXYNGE-UHFFFAOYSA-N
XLogP7.39
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,3-diphenylpropyl)-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-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (CID 58669892) is N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NCCC(c4ccccc4)c4ccccc4)c3c2C)c(OC)c1.
What is the InChIKey of N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is CFMDEDFLPXYNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O2/c1-6-39-27-17-18-29(30(21-27)38-5)37-23(3)31-22(2)35-36-33(32(31)24(37)4)34-20-19-28(25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-18,21,28H,6,19-20H2,1-5H3,(H,34,36).
What are the key properties of N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 520.68 g/mol, XLogP of 7.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 58669892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).