6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine

C25H27N3O2 — CID 10363683

IUPAC6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Cc4cccc(OC)c4)c3c2C)cc1
InChIInChI=1S/C25H27N3O2/c1-6-30-21-12-10-20(11-13-21)28-17(3)24-16(2)26-27-23(25(24)18(28)4)15-19-8-7-9-22(14-19)29-5/h7-14H,6,15H2,1-5H3
InChIKeyCOWDYVDYACZBBZ-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.34
Rot. Bonds6

About 6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine

6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (PubChem CID 10363683) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
PubChem CID10363683
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Cc4cccc(OC)c4)c3c2C)cc1
InChIInChI=1S/C25H27N3O2/c1-6-30-21-12-10-20(11-13-21)28-17(3)24-16(2)26-27-23(25(24)18(28)4)15-19-8-7-9-22(14-19)29-5/h7-14H,6,15H2,1-5H3
InChIKeyCOWDYVDYACZBBZ-UHFFFAOYSA-N
XLogP5.34
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine
CID 10065679
3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanal
CID 142851910
6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
CID 715491
6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylphenyl)pyrrolo[3,4-d]pyridazine
CID 10455562
4-(4-ethoxyphenyl)-3-(furan-2-yl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole
CID 2046039
4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol
CID 142852007
[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol
CID 58669975
4-(4-ethoxyphenyl)-3-ethylsulfanyl-5-(3-methoxyphenyl)-1,2,4-triazole
CID 2087868
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 1142987
1-[1-(4-ethoxyphenyl)-2-methyl-5-phenylpyrrol-3-yl]-N-[(3-methoxyphenyl)methoxy]ethanimine
CID 71959052
6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
CID 11531673
4-[4-(2-cyclopentylethyl)phenyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
CID 10253401

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (CID 10363683) is 6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(Cc4cccc(OC)c4)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The InChIKey is COWDYVDYACZBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-6-30-21-12-10-20(11-13-21)28-17(3)24-16(2)26-27-23(25(24)18(28)4)15-19-8-7-9-22(14-19)29-5/h7-14H,6,15H2,1-5H3.
What are the key properties of 6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine has a molecular weight of 401.51 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 10363683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).