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

C26H28N6O2 — CID 58669770

IUPAC6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5ccnn45)c3c2C)c(OC)c1
InChIInChI=1S/C26H28N6O2/c1-6-34-21-10-11-22(23(14-21)33-5)31-17(3)24-16(2)29-30-26(25(24)18(31)4)27-15-20-9-7-8-19-12-13-28-32(19)20/h7-14H,6,15H2,1-5H3,(H,27,30)
InChIKeyFJNQGALTJRZGGI-UHFFFAOYSA-N
MW456.55 g/mol
LogP5.01
Rot. Bonds7

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

6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 58669770) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
PubChem CID58669770
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5ccnn45)c3c2C)c(OC)c1
InChIInChI=1S/C26H28N6O2/c1-6-34-21-10-11-22(23(14-21)33-5)31-17(3)24-16(2)29-30-26(25(24)18(31)4)27-15-20-9-7-8-19-12-13-28-32(19)20/h7-14H,6,15H2,1-5H3,(H,27,30)
InChIKeyFJNQGALTJRZGGI-UHFFFAOYSA-N
XLogP5.01
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 11531673
6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((6-methylpyridin-2-yl)methyl)-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407158
6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(quinolin-8-ylmethyl)-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407178
6-(4-ethoxyphenyl)-N,4,5,7-tetramethyl-N-(2-(pyridin-2-yl)ethyl)-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407183
N-((1H-indol-4-yl)methyl)-6-(4-ethoxyphenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407192
6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((tetrahydrofuran-2-yl)methyl)-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407252
6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(pyridin-4-ylmethyl)-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407253
6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((1-methyl-1H-pyrazol-4-yl)methyl)-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407255
6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(pyridin-3-ylmethyl)-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407256
N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68290829
N-((4-cyclopropyl-1H-pyrazol-3-yl)methyl)-6-(4-ethoxyphenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407285
N-(2,4-dimethoxyphenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 76335739

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (CID 58669770) is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5ccnn45)c3c2C)c(OC)c1.
What is the InChIKey of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is FJNQGALTJRZGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-6-34-21-10-11-22(23(14-21)33-5)31-17(3)24-16(2)29-30-26(25(24)18(31)4)27-15-20-9-7-8-19-12-13-28-32(19)20/h7-14H,6,15H2,1-5H3,(H,27,30).
What are the key properties of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 456.55 g/mol, XLogP of 5.01, 7 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-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 58669770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).