4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol

C24H26N4O2 — CID 142852007

IUPAC4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(O)cc4)c3c2C)cc1
InChIInChI=1S/C24H26N4O2/c1-5-30-21-12-8-19(9-13-21)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-14-18-6-10-20(29)11-7-18/h6-13,29H,5,14H2,1-4H3,(H,25,27)
InChIKeyBFZSQMLYPIFHHF-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.06
Rot. Bonds6

About 4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol

4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol (PubChem CID 142852007) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol
PubChem CID142852007
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(O)cc4)c3c2C)cc1
InChIInChI=1S/C24H26N4O2/c1-5-30-21-12-8-19(9-13-21)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-14-18-6-10-20(29)11-7-18/h6-13,29H,5,14H2,1-4H3,(H,25,27)
InChIKeyBFZSQMLYPIFHHF-UHFFFAOYSA-N
XLogP5.06
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol with MolForge

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Related Compounds

2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135984772
4-[(4-ethoxyanilino)methyl]phenol
CID 3271066
6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine
CID 10065679
6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylphenyl)pyrrolo[3,4-d]pyridazine
CID 10455562
6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
CID 11531673
3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanal
CID 142851910
6-(4-ethoxy-2-methoxyphenyl)-N-[(2-ethoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
CID 58669775
4-[4-(2-cyclopentylethyl)phenyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
CID 10253401
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
N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664320
4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol?
The IUPAC name of 4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol (CID 142852007) is 4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol?
The canonical SMILES for 4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol is CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(O)cc4)c3c2C)cc1.
What is the InChIKey of 4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol?
The InChIKey is BFZSQMLYPIFHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-5-30-21-12-8-19(9-13-21)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-14-18-6-10-20(29)11-7-18/h6-13,29H,5,14H2,1-4H3,(H,25,27).
What are the key properties of 4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol?
4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol has a molecular weight of 402.50 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol is sourced from PubChem (CID 142852007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).