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

C17H17F2N3O3S — CID 53338032

IUPAC1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one
SMILESCCOc1cc(=O)c(C(=O)N2CCSCC2)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2N3O3S/c1-2-25-15-10-14(23)16(17(24)21-5-7-26-8-6-21)20-22(15)11-3-4-12(18)13(19)9-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyMBCGNZRPKSNSCS-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.10
Rot. Bonds4

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

1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one (PubChem CID 53338032) has the molecular formula C17H17F2N3O3S and a molecular weight of 381.40 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one
PubChem CID53338032
Molecular FormulaC17H17F2N3O3S
Molecular Weight381.40 g/mol
Exact Mass381.10
IUPAC Name1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one
SMILESCCOc1cc(=O)c(C(=O)N2CCSCC2)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2N3O3S/c1-2-25-15-10-14(23)16(17(24)21-5-7-26-8-6-21)20-22(15)11-3-4-12(18)13(19)9-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyMBCGNZRPKSNSCS-UHFFFAOYSA-N
XLogP2.10
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(piperidine-1-carbonyl)pyridazin-4-one
CID 53157767
1-(3,4-difluorophenyl)-6-ethoxy-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one
CID 53157768
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
6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
CID 53157545
3-(azepane-1-carbonyl)-6-methoxy-1-(4-methylphenyl)pyridazin-4-one
CID 53157732
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
1-(3,4-difluorophenyl)-6-methoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157575
[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112832473

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one?
The IUPAC name of 1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one (CID 53338032) is 1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one is CCOc1cc(=O)c(C(=O)N2CCSCC2)nn1-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one?
The InChIKey is MBCGNZRPKSNSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3S/c1-2-25-15-10-14(23)16(17(24)21-5-7-26-8-6-21)20-22(15)11-3-4-12(18)13(19)9-11/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one?
1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one has a molecular weight of 381.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one is sourced from PubChem (CID 53338032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).