6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one

C19H22FN3O3 — CID 53157757

IUPAC6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one
SMILESCCOc1cc(=O)c(C(=O)N2CCC(C)CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3/c1-3-26-17-12-16(24)18(19(25)22-10-8-13(2)9-11-22)21-23(17)15-6-4-14(20)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyRAKZAWCJQZAQCM-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.64
Rot. Bonds4

About 6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one

6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one (PubChem CID 53157757) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one.

Molecular Properties

Compound Name6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one
PubChem CID53157757
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one
SMILESCCOc1cc(=O)c(C(=O)N2CCC(C)CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3/c1-3-26-17-12-16(24)18(19(25)22-10-8-13(2)9-11-22)21-23(17)15-6-4-14(20)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyRAKZAWCJQZAQCM-UHFFFAOYSA-N
XLogP2.64
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one?
The IUPAC name of 6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one (CID 53157757) is 6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one.
What is the SMILES notation for 6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one?
The canonical SMILES for 6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one is CCOc1cc(=O)c(C(=O)N2CCC(C)CC2)nn1-c1ccc(F)cc1.
What is the InChIKey of 6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one?
The InChIKey is RAKZAWCJQZAQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-3-26-17-12-16(24)18(19(25)22-10-8-13(2)9-11-22)21-23(17)15-6-4-14(20)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one?
6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one has a molecular weight of 359.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-(4-fluorophenyl)-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one is sourced from PubChem (CID 53157757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).