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

C29H30N4O2 — CID 58669965

IUPAC6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5ccccc45)c3c2C)c(OC)c1
InChIInChI=1S/C29H30N4O2/c1-6-35-23-14-15-25(26(16-23)34-5)33-19(3)27-18(2)31-32-29(28(27)20(33)4)30-17-22-12-9-11-21-10-7-8-13-24(21)22/h7-16H,6,17H2,1-5H3,(H,30,32)
InChIKeyNAOJPOYHHQMBDO-UHFFFAOYSA-N
MW466.59 g/mol
LogP6.52
Rot. Bonds7

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

6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 58669965) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
PubChem CID58669965
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5ccccc45)c3c2C)c(OC)c1
InChIInChI=1S/C29H30N4O2/c1-6-35-23-14-15-25(26(16-23)34-5)33-19(3)27-18(2)31-32-29(28(27)20(33)4)30-17-22-12-9-11-21-10-7-8-13-24(21)22/h7-16H,6,17H2,1-5H3,(H,30,32)
InChIKeyNAOJPOYHHQMBDO-UHFFFAOYSA-N
XLogP6.52
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (CID 58669965) is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5ccccc45)c3c2C)c(OC)c1.
What is the InChIKey of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is NAOJPOYHHQMBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-6-35-23-14-15-25(26(16-23)34-5)33-19(3)27-18(2)31-32-29(28(27)20(33)4)30-17-22-12-9-11-21-10-7-8-13-24(21)22/h7-16H,6,17H2,1-5H3,(H,30,32).
What are the key properties of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 466.59 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 58669965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).