6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one

C25H25FN8O3 — CID 25074202

IUPAC6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one
SMILESCN(C)c1cc(O)cc(Nc2ccc(-c3ccc(=O)n(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)c1
InChIInChI=1S/C25H25FN8O3/c1-32(2)18-11-17(12-19(35)13-18)29-16-3-4-21(27-14-16)22-5-6-23(36)34(31-22)25-28-15-20(26)24(30-25)33-7-9-37-10-8-33/h3-6,11-15,29,35H,7-10H2,1-2H3
InChIKeyIXPIAHGXLRIWTB-UHFFFAOYSA-N
MW504.53 g/mol
LogP2.58
Rot. Bonds6

About 6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one

6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one (PubChem CID 25074202) has the molecular formula C25H25FN8O3 and a molecular weight of 504.53 g/mol. Its IUPAC name is 6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one
PubChem CID25074202
Molecular FormulaC25H25FN8O3
Molecular Weight504.53 g/mol
Exact Mass504.20
IUPAC Name6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one
SMILESCN(C)c1cc(O)cc(Nc2ccc(-c3ccc(=O)n(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)c1
InChIInChI=1S/C25H25FN8O3/c1-32(2)18-11-17(12-19(35)13-18)29-16-3-4-21(27-14-16)22-5-6-23(36)34(31-22)25-28-15-20(26)24(30-25)33-7-9-37-10-8-33/h3-6,11-15,29,35H,7-10H2,1-2H3
InChIKeyIXPIAHGXLRIWTB-UHFFFAOYSA-N
XLogP2.58
TPSA121.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.53
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one?
The IUPAC name of 6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one (CID 25074202) is 6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one.
What is the SMILES notation for 6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one?
The canonical SMILES for 6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one is CN(C)c1cc(O)cc(Nc2ccc(-c3ccc(=O)n(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)c1.
What is the InChIKey of 6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one?
The InChIKey is IXPIAHGXLRIWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O3/c1-32(2)18-11-17(12-19(35)13-18)29-16-3-4-21(27-14-16)22-5-6-23(36)34(31-22)25-28-15-20(26)24(30-25)33-7-9-37-10-8-33/h3-6,11-15,29,35H,7-10H2,1-2H3.
What are the key properties of 6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one?
6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one has a molecular weight of 504.53 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one is sourced from PubChem (CID 25074202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).