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

C32H34N4O2 — CID 58669879

IUPACN-(2,2-diphenylethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCC(c4ccccc4)c4ccccc4)c3c2C)c(OC)c1
InChIInChI=1S/C32H34N4O2/c1-6-38-26-17-18-28(29(19-26)37-5)36-22(3)30-21(2)34-35-32(31(30)23(36)4)33-20-27(24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-19,27H,6,20H2,1-5H3,(H,33,35)
InChIKeyXNZCFSJGGLSDFX-UHFFFAOYSA-N
MW506.65 g/mol
LogP7.00
Rot. Bonds9

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

N-(2,2-diphenylethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 58669879) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID58669879
Molecular FormulaC32H34N4O2
Molecular Weight506.65 g/mol
Exact Mass506.27
IUPAC NameN-(2,2-diphenylethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCC(c4ccccc4)c4ccccc4)c3c2C)c(OC)c1
InChIInChI=1S/C32H34N4O2/c1-6-38-26-17-18-28(29(19-26)37-5)36-22(3)30-21(2)34-35-32(31(30)23(36)4)33-20-27(24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-19,27H,6,20H2,1-5H3,(H,33,35)
InChIKeyXNZCFSJGGLSDFX-UHFFFAOYSA-N
XLogP7.00
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of N-(2,2-diphenylethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (CID 58669879) is N-(2,2-diphenylethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for N-(2,2-diphenylethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for N-(2,2-diphenylethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NCC(c4ccccc4)c4ccccc4)c3c2C)c(OC)c1.
What is the InChIKey of N-(2,2-diphenylethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is XNZCFSJGGLSDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-6-38-26-17-18-28(29(19-26)37-5)36-22(3)30-21(2)34-35-32(31(30)23(36)4)33-20-27(24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-19,27H,6,20H2,1-5H3,(H,33,35).
What are the key properties of N-(2,2-diphenylethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
N-(2,2-diphenylethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 506.65 g/mol, XLogP of 7.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 58669879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).