N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine

C26H30N4O4 — CID 11754092

IUPACN-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4cc(OC)cc(OC)c4)c3c2C)c(OC)c1
InChIInChI=1S/C26H30N4O4/c1-8-34-19-9-10-22(23(14-19)33-7)30-16(3)24-15(2)28-29-26(25(24)17(30)4)27-18-11-20(31-5)13-21(12-18)32-6/h9-14H,8H2,1-7H3,(H,27,29)
InChIKeyAQTVMGUQJROAQU-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.51
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine

N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 11754092) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID11754092
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4cc(OC)cc(OC)c4)c3c2C)c(OC)c1
InChIInChI=1S/C26H30N4O4/c1-8-34-19-9-10-22(23(14-19)33-7)30-16(3)24-15(2)28-29-26(25(24)17(30)4)27-18-11-20(31-5)13-21(12-18)32-6/h9-14H,8H2,1-7H3,(H,27,29)
InChIKeyAQTVMGUQJROAQU-UHFFFAOYSA-N
XLogP5.51
TPSA79.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
CID 58669754
[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol
CID 58669975
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
6-(4-ethoxy-2-methoxyphenyl)-N-[(2-ethoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
CID 58669775
6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
CID 58669738
N-(2,3-dihydro-1H-inden-2-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
CID 58669970
6-(4-ethoxy-2-methoxyphenyl)-1,5-dimethyl-4-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazine-4,7-diamine
CID 142852061
6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride
CID 10342265
1-[4-[4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazin-1-yl]phenyl]ethanone
CID 58669780
4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine
CID 58669730
4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 58669760
4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
CID 58669855

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (CID 11754092) is N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4cc(OC)cc(OC)c4)c3c2C)c(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is AQTVMGUQJROAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-8-34-19-9-10-22(23(14-19)33-7)30-16(3)24-15(2)28-29-26(25(24)17(30)4)27-18-11-20(31-5)13-21(12-18)32-6/h9-14H,8H2,1-7H3,(H,27,29).
What are the key properties of N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 462.55 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 11754092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).