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

C24H25FN4O — CID 58669822

IUPAC6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(C)c(F)c4)c3c2C)cc1
InChIInChI=1S/C24H25FN4O/c1-6-30-20-11-9-19(10-12-20)29-16(4)22-15(3)27-28-24(23(22)17(29)5)26-18-8-7-14(2)21(25)13-18/h7-13H,6H2,1-5H3,(H,26,28)
InChIKeyKTPIDIGNPRTNRJ-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.94
Rot. Bonds5

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

6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 58669822) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID58669822
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(C)c(F)c4)c3c2C)cc1
InChIInChI=1S/C24H25FN4O/c1-6-30-20-11-9-19(10-12-20)29-16(4)22-15(3)27-28-24(23(22)17(29)5)26-18-8-7-14(2)21(25)13-18/h7-13H,6H2,1-5H3,(H,26,28)
InChIKeyKTPIDIGNPRTNRJ-UHFFFAOYSA-N
XLogP5.94
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (CID 58669822) is 6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(C)c(F)c4)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is KTPIDIGNPRTNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-6-30-20-11-9-19(10-12-20)29-16(4)22-15(3)27-28-24(23(22)17(29)5)26-18-8-7-14(2)21(25)13-18/h7-13H,6H2,1-5H3,(H,26,28).
What are the key properties of 6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 404.49 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 58669822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).