[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone

C20H18FN3O3S — CID 6402585

IUPAC[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(CSc2ccc(-c3ccc(F)cc3)nn2)o1)N1CCOCC1
InChIInChI=1S/C20H18FN3O3S/c21-15-3-1-14(2-4-15)17-6-8-19(23-22-17)28-13-16-5-7-18(27-16)20(25)24-9-11-26-12-10-24/h1-8H,9-13H2
InChIKeyMSZHFESWXAEPCM-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.64
Rot. Bonds5

About [5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone

[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone (PubChem CID 6402585) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is [5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
PubChem CID6402585
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(CSc2ccc(-c3ccc(F)cc3)nn2)o1)N1CCOCC1
InChIInChI=1S/C20H18FN3O3S/c21-15-3-1-14(2-4-15)17-6-8-19(23-22-17)28-13-16-5-7-18(27-16)20(25)24-9-11-26-12-10-24/h1-8H,9-13H2
InChIKeyMSZHFESWXAEPCM-UHFFFAOYSA-N
XLogP3.64
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone
CID 6402590
1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone
CID 6412558
N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
CID 6402607
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
CID 7206160
(4-benzylpiperazin-1-yl)-[5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]methanone
CID 30859853
[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 30859847
3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine
CID 7205692
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide
CID 3228068
4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 6402552
[5-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 42825099

Frequently Asked Questions

What is the IUPAC name of [5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone (CID 6402585) is [5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone is O=C(c1ccc(CSc2ccc(-c3ccc(F)cc3)nn2)o1)N1CCOCC1.
What is the InChIKey of [5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is MSZHFESWXAEPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c21-15-3-1-14(2-4-15)17-6-8-19(23-22-17)28-13-16-5-7-18(27-16)20(25)24-9-11-26-12-10-24/h1-8H,9-13H2.
What are the key properties of [5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 399.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6402585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).