1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one

C18H19F2N3O3 — CID 53157767

IUPAC1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one
SMILESCCOc1cc(=O)c(C(=O)N2CCCCC2)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2N3O3/c1-2-26-16-11-15(24)17(18(25)22-8-4-3-5-9-22)21-23(16)12-6-7-13(19)14(20)10-12/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyQPRIPPPQCHIIBZ-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.54
Rot. Bonds4

About 1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one

1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one (PubChem CID 53157767) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one
PubChem CID53157767
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one
SMILESCCOc1cc(=O)c(C(=O)N2CCCCC2)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2N3O3/c1-2-26-16-11-15(24)17(18(25)22-8-4-3-5-9-22)21-23(16)12-6-7-13(19)14(20)10-12/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyQPRIPPPQCHIIBZ-UHFFFAOYSA-N
XLogP2.54
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one
CID 53157766
1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one
CID 53338032
1-(3,4-difluorophenyl)-6-ethoxy-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one
CID 53157768
3-(azepane-1-carbonyl)-6-methoxy-1-(4-methylphenyl)pyridazin-4-one
CID 53157732
6-ethoxy-1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazine-1-carbonyl]pyridazin-4-one
CID 53157748
1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157592
[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112832473
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35611354
3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35514756
1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157656
6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one
CID 53157733

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one?
The IUPAC name of 1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one (CID 53157767) is 1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one is CCOc1cc(=O)c(C(=O)N2CCCCC2)nn1-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one?
The InChIKey is QPRIPPPQCHIIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-2-26-16-11-15(24)17(18(25)22-8-4-3-5-9-22)21-23(16)12-6-7-13(19)14(20)10-12/h6-7,10-11H,2-5,8-9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one?
1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one has a molecular weight of 363.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one is sourced from PubChem (CID 53157767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).