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

C25H29N5O2 — CID 58669973

IUPAC6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4ccccn4)c3c2C)c(OC)c1
InChIInChI=1S/C25H29N5O2/c1-6-32-20-10-11-21(22(15-20)31-5)30-17(3)23-16(2)28-29-25(24(23)18(30)4)27-14-12-19-9-7-8-13-26-19/h7-11,13,15H,6,12,14H2,1-5H3,(H,27,29)
InChIKeyMULWRBJWVBBPEN-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.80
Rot. Bonds8

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

6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 58669973) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine
PubChem CID58669973
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4ccccn4)c3c2C)c(OC)c1
InChIInChI=1S/C25H29N5O2/c1-6-32-20-10-11-21(22(15-20)31-5)30-17(3)23-16(2)28-29-25(24(23)18(30)4)27-14-12-19-9-7-8-13-26-19/h7-11,13,15H,6,12,14H2,1-5H3,(H,27,29)
InChIKeyMULWRBJWVBBPEN-UHFFFAOYSA-N
XLogP4.80
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.80
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-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine (CID 58669973) is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-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-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4ccccn4)c3c2C)c(OC)c1.
What is the InChIKey of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is MULWRBJWVBBPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-6-32-20-10-11-21(22(15-20)31-5)30-17(3)23-16(2)28-29-25(24(23)18(30)4)27-14-12-19-9-7-8-13-26-19/h7-11,13,15H,6,12,14H2,1-5H3,(H,27,29).
What are the key properties of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 431.54 g/mol, XLogP of 4.80, 8 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-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 58669973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).