2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol

C23H28N6O — CID 170041217

IUPAC2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol
SMILESCN1CCN(C2CCCCC2)c2nnc(-c3ccc(-c4cnn(C)c4)cc3O)cc21
InChIInChI=1S/C23H28N6O/c1-27-10-11-29(18-6-4-3-5-7-18)23-21(27)13-20(25-26-23)19-9-8-16(12-22(19)30)17-14-24-28(2)15-17/h8-9,12-15,18,30H,3-7,10-11H2,1-2H3
InChIKeyLPOPAEQSWDQYKO-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.84
Rot. Bonds3

About 2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol

2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol (PubChem CID 170041217) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol
PubChem CID170041217
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol
SMILESCN1CCN(C2CCCCC2)c2nnc(-c3ccc(-c4cnn(C)c4)cc3O)cc21
InChIInChI=1S/C23H28N6O/c1-27-10-11-29(18-6-4-3-5-7-18)23-21(27)13-20(25-26-23)19-9-8-16(12-22(19)30)17-14-24-28(2)15-17/h8-9,12-15,18,30H,3-7,10-11H2,1-2H3
InChIKeyLPOPAEQSWDQYKO-UHFFFAOYSA-N
XLogP3.84
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol?
The IUPAC name of 2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol (CID 170041217) is 2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol?
The canonical SMILES for 2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol is CN1CCN(C2CCCCC2)c2nnc(-c3ccc(-c4cnn(C)c4)cc3O)cc21.
What is the InChIKey of 2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol?
The InChIKey is LPOPAEQSWDQYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-27-10-11-29(18-6-4-3-5-7-18)23-21(27)13-20(25-26-23)19-9-8-16(12-22(19)30)17-14-24-28(2)15-17/h8-9,12-15,18,30H,3-7,10-11H2,1-2H3.
What are the key properties of 2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol?
2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol has a molecular weight of 404.52 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclohexyl-5-methyl-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol is sourced from PubChem (CID 170041217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).