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

C25H27ClN4O3 — CID 58669754

IUPACN-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)c(Cl)c4)c3c2C)c(OC)c1
InChIInChI=1S/C25H27ClN4O3/c1-7-33-18-9-10-20(22(13-18)32-6)30-15(3)23-14(2)28-29-25(24(23)16(30)4)27-17-8-11-21(31-5)19(26)12-17/h8-13H,7H2,1-6H3,(H,27,29)
InChIKeyCAXKBXCJGPJEON-UHFFFAOYSA-N
MW466.97 g/mol
LogP6.16
Rot. Bonds7

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

N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 58669754) has the molecular formula C25H27ClN4O3 and a molecular weight of 466.97 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID58669754
Molecular FormulaC25H27ClN4O3
Molecular Weight466.97 g/mol
Exact Mass466.18
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)c(Cl)c4)c3c2C)c(OC)c1
InChIInChI=1S/C25H27ClN4O3/c1-7-33-18-9-10-20(22(13-18)32-6)30-15(3)23-14(2)28-29-25(24(23)16(30)4)27-17-8-11-21(31-5)19(26)12-17/h8-13H,7H2,1-6H3,(H,27,29)
InChIKeyCAXKBXCJGPJEON-UHFFFAOYSA-N
XLogP6.16
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
CID 11754092
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
[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol
CID 58669975
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
N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine
CID 157181710
6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
CID 11531673
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
4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine
CID 58669730
N-cyclopentyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-phenylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-6-amine
CID 158785917

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (CID 58669754) is N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)c(Cl)c4)c3c2C)c(OC)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is CAXKBXCJGPJEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O3/c1-7-33-18-9-10-20(22(13-18)32-6)30-15(3)23-14(2)28-29-25(24(23)16(30)4)27-17-8-11-21(31-5)19(26)12-17/h8-13H,7H2,1-6H3,(H,27,29).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 466.97 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 58669754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).