6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one

C23H25N7O — CID 126937042

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(C3CCC(Nc4nncc5ccccc45)CC3)n2)n1
InChIInChI=1S/C23H25N7O/c1-15-13-16(2)29(27-15)21-11-12-22(31)30(28-21)19-9-7-18(8-10-19)25-23-20-6-4-3-5-17(20)14-24-26-23/h3-6,11-14,18-19H,7-10H2,1-2H3,(H,25,26)
InChIKeyAXDJSKSZHDJMSU-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.58
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126937042) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one
PubChem CID126937042
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(C3CCC(Nc4nncc5ccccc45)CC3)n2)n1
InChIInChI=1S/C23H25N7O/c1-15-13-16(2)29(27-15)21-11-12-22(31)30(28-21)19-9-7-18(8-10-19)25-23-20-6-4-3-5-17(20)14-24-26-23/h3-6,11-14,18-19H,7-10H2,1-2H3,(H,25,26)
InChIKeyAXDJSKSZHDJMSU-UHFFFAOYSA-N
XLogP3.58
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one
CID 126937040
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126936965
2-[4-(cyclobutylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937029
2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937088
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126936999
6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one
CID 126937014
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one
CID 126937003
2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126937103
N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]morpholine-4-sulfonamide
CID 126936949
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126936973
2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937030
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(5-methylfuran-2-yl)methylamino]cyclohexyl]pyridazin-3-one
CID 126937016

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one (CID 126937042) is 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(C3CCC(Nc4nncc5ccccc45)CC3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is AXDJSKSZHDJMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-15-13-16(2)29(27-15)21-11-12-22(31)30(28-21)19-9-7-18(8-10-19)25-23-20-6-4-3-5-17(20)14-24-26-23/h3-6,11-14,18-19H,7-10H2,1-2H3,(H,25,26).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 415.50 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126937042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).