6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine

C23H28N6O2 — CID 58669836

IUPAC6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCCn4cccn4)c3c2C)c(OC)c1
InChIInChI=1S/C23H28N6O2/c1-6-31-18-8-9-19(20(14-18)30-5)29-16(3)21-15(2)26-27-23(22(21)17(29)4)24-11-13-28-12-7-10-25-28/h7-10,12,14H,6,11,13H2,1-5H3,(H,24,27)
InChIKeyMHLQETYJZBJMRT-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.06
Rot. Bonds8

About 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine

6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 58669836) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine
PubChem CID58669836
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCCn4cccn4)c3c2C)c(OC)c1
InChIInChI=1S/C23H28N6O2/c1-6-31-18-8-9-19(20(14-18)30-5)29-16(3)21-15(2)26-27-23(22(21)17(29)4)24-11-13-28-12-7-10-25-28/h7-10,12,14H,6,11,13H2,1-5H3,(H,24,27)
InChIKeyMHLQETYJZBJMRT-UHFFFAOYSA-N
XLogP4.06
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine (CID 58669836) is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NCCn4cccn4)c3c2C)c(OC)c1.
What is the InChIKey of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is MHLQETYJZBJMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-6-31-18-8-9-19(20(14-18)30-5)29-16(3)21-15(2)26-27-23(22(21)17(29)4)24-11-13-28-12-7-10-25-28/h7-10,12,14H,6,11,13H2,1-5H3,(H,24,27).
What are the key properties of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 420.52 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrazol-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 58669836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).