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

C24H27N5O2 — CID 58669727

IUPAC6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccnc4)c3c2C)c(OC)c1
InChIInChI=1S/C24H27N5O2/c1-6-31-19-9-10-20(21(12-19)30-5)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-8-7-11-25-13-18/h7-13H,6,14H2,1-5H3,(H,26,28)
InChIKeyLNWQLWVOUPSBDG-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.76
Rot. Bonds7

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

6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 58669727) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
PubChem CID58669727
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccnc4)c3c2C)c(OC)c1
InChIInChI=1S/C24H27N5O2/c1-6-31-19-9-10-20(21(12-19)30-5)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-8-7-11-25-13-18/h7-13H,6,14H2,1-5H3,(H,26,28)
InChIKeyLNWQLWVOUPSBDG-UHFFFAOYSA-N
XLogP4.76
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (CID 58669727) is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccnc4)c3c2C)c(OC)c1.
What is the InChIKey of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is LNWQLWVOUPSBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-6-31-19-9-10-20(21(12-19)30-5)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-8-7-11-25-13-18/h7-13H,6,14H2,1-5H3,(H,26,28).
What are the key properties of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 417.51 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 58669727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).