6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one

C59H64F4N8O4 — CID 158622225

IUPAC6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cc(C(C)C)c(=O)n(-c2ccc(F)cc2)n1.CC(C)c1cc(C2CC2)nn(-c2ccc(F)cc2)c1=O.CC(C)c1ccnn(-c2ccc(F)cc2)c1=O.Cc1cc(C(C)C)c(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN2O.C16H19FN2O.C14H15FN2O.C13H13FN2O/c1-10(2)14-9-15(11-3-4-11)18-19(16(14)20)13-7-5-12(17)6-8-13;1-10(2)14-9-15(11(3)4)18-19(16(14)20)13-7-5-12(17)6-8-13;1-9(2)13-8-10(3)16-17(14(13)18)12-6-4-11(15)5-7-12;1-9(2)12-7-8-15-16(13(12)17)11-5-3-10(14)4-6-11/h5-11H,3-4H2,1-2H3;5-11H,1-4H3;4-9H,1-3H3;3-9H,1-2H3
InChIKeyHYDKXKLIUIACHP-UHFFFAOYSA-N
MW1025.20 g/mol
LogP12.29
Rot. Bonds10

About 6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one

6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one (PubChem CID 158622225) has the molecular formula C59H64F4N8O4 and a molecular weight of 1025.20 g/mol. Its IUPAC name is 6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one
PubChem CID158622225
Molecular FormulaC59H64F4N8O4
Molecular Weight1025.20 g/mol
Exact Mass1024.50
IUPAC Name6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cc(C(C)C)c(=O)n(-c2ccc(F)cc2)n1.CC(C)c1cc(C2CC2)nn(-c2ccc(F)cc2)c1=O.CC(C)c1ccnn(-c2ccc(F)cc2)c1=O.Cc1cc(C(C)C)c(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN2O.C16H19FN2O.C14H15FN2O.C13H13FN2O/c1-10(2)14-9-15(11-3-4-11)18-19(16(14)20)13-7-5-12(17)6-8-13;1-10(2)14-9-15(11(3)4)18-19(16(14)20)13-7-5-12(17)6-8-13;1-9(2)13-8-10(3)16-17(14(13)18)12-6-4-11(15)5-7-12;1-9(2)12-7-8-15-16(13(12)17)11-5-3-10(14)4-6-11/h5-11H,3-4H2,1-2H3;5-11H,1-4H3;4-9H,1-3H3;3-9H,1-2H3
InChIKeyHYDKXKLIUIACHP-UHFFFAOYSA-N
XLogP12.29
TPSA139.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001025.20
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one (CID 158622225) is 6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one is CC(C)c1cc(C(C)C)c(=O)n(-c2ccc(F)cc2)n1.CC(C)c1cc(C2CC2)nn(-c2ccc(F)cc2)c1=O.CC(C)c1ccnn(-c2ccc(F)cc2)c1=O.Cc1cc(C(C)C)c(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one?
The InChIKey is HYDKXKLIUIACHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O.C16H19FN2O.C14H15FN2O.C13H13FN2O/c1-10(2)14-9-15(11-3-4-11)18-19(16(14)20)13-7-5-12(17)6-8-13;1-10(2)14-9-15(11(3)4)18-19(16(14)20)13-7-5-12(17)6-8-13;1-9(2)13-8-10(3)16-17(14(13)18)12-6-4-11(15)5-7-12;1-9(2)12-7-8-15-16(13(12)17)11-5-3-10(14)4-6-11/h5-11H,3-4H2,1-2H3;5-11H,1-4H3;4-9H,1-3H3;3-9H,1-2H3.
What are the key properties of 6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one?
6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one has a molecular weight of 1025.20 g/mol, XLogP of 12.29, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 158622225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).