[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol

C25H28N4O3 — CID 58669975

IUPAC[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4cccc(CO)c4)c3c2C)c(OC)c1
InChIInChI=1S/C25H28N4O3/c1-6-32-20-10-11-21(22(13-20)31-5)29-16(3)23-15(2)27-28-25(24(23)17(29)4)26-19-9-7-8-18(12-19)14-30/h7-13,30H,6,14H2,1-5H3,(H,26,28)
InChIKeyUZPDCHJATGRBIS-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.99
Rot. Bonds7

About [3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol

[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol (PubChem CID 58669975) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is [3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol
PubChem CID58669975
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4cccc(CO)c4)c3c2C)c(OC)c1
InChIInChI=1S/C25H28N4O3/c1-6-32-20-10-11-21(22(13-20)31-5)29-16(3)23-15(2)27-28-25(24(23)17(29)4)26-19-9-7-8-18(12-19)14-30/h7-13,30H,6,14H2,1-5H3,(H,26,28)
InChIKeyUZPDCHJATGRBIS-UHFFFAOYSA-N
XLogP4.99
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol?
The IUPAC name of [3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol (CID 58669975) is [3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol.
What is the SMILES notation for [3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol?
The canonical SMILES for [3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol is CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4cccc(CO)c4)c3c2C)c(OC)c1.
What is the InChIKey of [3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol?
The InChIKey is UZPDCHJATGRBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-6-32-20-10-11-21(22(13-20)31-5)29-16(3)23-15(2)27-28-25(24(23)17(29)4)26-19-9-7-8-18(12-19)14-30/h7-13,30H,6,14H2,1-5H3,(H,26,28).
What are the key properties of [3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol?
[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol has a molecular weight of 432.52 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol is sourced from PubChem (CID 58669975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).