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

C25H28N6O2 — CID 126936973

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one
SMILESCOc1ccc2nccc(NC3CCC(n4nc(-n5nc(C)cc5C)ccc4=O)CC3)c2c1
InChIInChI=1S/C25H28N6O2/c1-16-14-17(2)30(28-16)24-10-11-25(32)31(29-24)19-6-4-18(5-7-19)27-23-12-13-26-22-9-8-20(33-3)15-21(22)23/h8-15,18-19H,4-7H2,1-3H3,(H,26,27)
InChIKeyYXOXXKZOHNGMFT-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.20
Rot. Bonds5

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

6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126936973) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126936973
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one
SMILESCOc1ccc2nccc(NC3CCC(n4nc(-n5nc(C)cc5C)ccc4=O)CC3)c2c1
InChIInChI=1S/C25H28N6O2/c1-16-14-17(2)30(28-16)24-10-11-25(32)31(29-24)19-6-4-18(5-7-19)27-23-12-13-26-22-9-8-20(33-3)15-21(22)23/h8-15,18-19H,4-7H2,1-3H3,(H,26,27)
InChIKeyYXOXXKZOHNGMFT-UHFFFAOYSA-N
XLogP4.20
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one (CID 126936973) is 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one is COc1ccc2nccc(NC3CCC(n4nc(-n5nc(C)cc5C)ccc4=O)CC3)c2c1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is YXOXXKZOHNGMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-16-14-17(2)30(28-16)24-10-11-25(32)31(29-24)19-6-4-18(5-7-19)27-23-12-13-26-22-9-8-20(33-3)15-21(22)23/h8-15,18-19H,4-7H2,1-3H3,(H,26,27).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 444.54 g/mol, XLogP of 4.20, 5 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-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126936973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).