6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine

C25H25N5O — CID 11531673

IUPAC6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5[nH]ccc5c4)c3c2C)cc1
InChIInChI=1S/C25H25N5O/c1-5-31-21-9-7-20(8-10-21)30-16(3)23-15(2)28-29-25(24(23)17(30)4)27-19-6-11-22-18(14-19)12-13-26-22/h6-14,26H,5H2,1-4H3,(H,27,29)
InChIKeyHNNUCKOGRAJMDL-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.97
Rot. Bonds5

About 6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine

6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 11531673) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID11531673
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5[nH]ccc5c4)c3c2C)cc1
InChIInChI=1S/C25H25N5O/c1-5-31-21-9-7-20(8-10-21)30-16(3)23-15(2)28-29-25(24(23)17(30)4)27-19-6-11-22-18(14-19)12-13-26-22/h6-14,26H,5H2,1-4H3,(H,27,29)
InChIKeyHNNUCKOGRAJMDL-UHFFFAOYSA-N
XLogP5.97
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine with MolForge

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Related Compounds

4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol
CID 142852007
6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine
CID 10065679
N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
CID 58669754
N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
CID 11754092
3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanal
CID 142851910
[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol
CID 58669975
N-[3-[[6-(3,5-dibromo-4-ethoxyphenyl)-3,5,7-trimethyl-4-(methylamino)-4H-pyrrolo[3,4-d]pyridazin-1-yl]methyl]-4-methylphenyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
CID 142851807
N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
CID 58669912
2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135984772
6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylphenyl)pyrrolo[3,4-d]pyridazine
CID 10455562
6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
CID 10363683
6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
CID 715491

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (CID 11531673) is 6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5[nH]ccc5c4)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is HNNUCKOGRAJMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-5-31-21-9-7-20(8-10-21)30-16(3)23-15(2)28-29-25(24(23)17(30)4)27-19-6-11-22-18(14-19)12-13-26-22/h6-14,26H,5H2,1-4H3,(H,27,29).
What are the key properties of 6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 411.51 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 11531673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).