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

C32H34N4O — CID 58669725

IUPACN-(3,3-diphenylpropyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCCC(c4ccccc4)c4ccccc4)c3c2C)cc1
InChIInChI=1S/C32H34N4O/c1-5-37-28-18-16-27(17-19-28)36-23(3)30-22(2)34-35-32(31(30)24(36)4)33-21-20-29(25-12-8-6-9-13-25)26-14-10-7-11-15-26/h6-19,29H,5,20-21H2,1-4H3,(H,33,35)
InChIKeyDBDCBCJMHRANKW-UHFFFAOYSA-N
MW490.65 g/mol
LogP7.38
Rot. Bonds9

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

N-(3,3-diphenylpropyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 58669725) has the molecular formula C32H34N4O and a molecular weight of 490.65 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID58669725
Molecular FormulaC32H34N4O
Molecular Weight490.65 g/mol
Exact Mass490.27
IUPAC NameN-(3,3-diphenylpropyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCCC(c4ccccc4)c4ccccc4)c3c2C)cc1
InChIInChI=1S/C32H34N4O/c1-5-37-28-18-16-27(17-19-28)36-23(3)30-22(2)34-35-32(31(30)24(36)4)33-21-20-29(25-12-8-6-9-13-25)26-14-10-7-11-15-26/h6-19,29H,5,20-21H2,1-4H3,(H,33,35)
InChIKeyDBDCBCJMHRANKW-UHFFFAOYSA-N
XLogP7.38
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of N-(3,3-diphenylpropyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (CID 58669725) is N-(3,3-diphenylpropyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for N-(3,3-diphenylpropyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for N-(3,3-diphenylpropyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NCCC(c4ccccc4)c4ccccc4)c3c2C)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is DBDCBCJMHRANKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O/c1-5-37-28-18-16-27(17-19-28)36-23(3)30-22(2)34-35-32(31(30)24(36)4)33-21-20-29(25-12-8-6-9-13-25)26-14-10-7-11-15-26/h6-19,29H,5,20-21H2,1-4H3,(H,33,35).
What are the key properties of N-(3,3-diphenylpropyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
N-(3,3-diphenylpropyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 490.65 g/mol, XLogP of 7.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 58669725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).