6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one

C17H17FN6O — CID 122281789

IUPAC6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one
SMILESCNc1cc(NCCn2nc(-c3ccc(F)cc3)ccc2=O)ncn1
InChIInChI=1S/C17H17FN6O/c1-19-15-10-16(22-11-21-15)20-8-9-24-17(25)7-6-14(23-24)12-2-4-13(18)5-3-12/h2-7,10-11H,8-9H2,1H3,(H2,19,20,21,22)
InChIKeyLIRSFJKFLGBRRF-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.99
Rot. Bonds6

About 6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one

6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one (PubChem CID 122281789) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one
PubChem CID122281789
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one
SMILESCNc1cc(NCCn2nc(-c3ccc(F)cc3)ccc2=O)ncn1
InChIInChI=1S/C17H17FN6O/c1-19-15-10-16(22-11-21-15)20-8-9-24-17(25)7-6-14(23-24)12-2-4-13(18)5-3-12/h2-7,10-11H,8-9H2,1H3,(H2,19,20,21,22)
InChIKeyLIRSFJKFLGBRRF-UHFFFAOYSA-N
XLogP1.99
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]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

2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 139027512
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide
CID 41241395
4-fluoro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 18569804
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 71794946
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 18569696
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121050978
2-[2-[[6-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-6-methylpyridazin-3-one
CID 122282209
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
CID 16884867
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101299
3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51103376
4-fluoro-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]benzenesulfonamide
CID 42138848
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063880

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one (CID 122281789) is 6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one is CNc1cc(NCCn2nc(-c3ccc(F)cc3)ccc2=O)ncn1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one?
The InChIKey is LIRSFJKFLGBRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-19-15-10-16(22-11-21-15)20-8-9-24-17(25)7-6-14(23-24)12-2-4-13(18)5-3-12/h2-7,10-11H,8-9H2,1H3,(H2,19,20,21,22).
What are the key properties of 6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one has a molecular weight of 340.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one is sourced from PubChem (CID 122281789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).