1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone

C23H23FN4O3S — CID 6412558

IUPAC1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(CSc3ccc(-c4ccc(F)cc4)nn3)o2)CC1C
InChIInChI=1S/C23H23FN4O3S/c1-15-13-27(11-12-28(15)16(2)29)23(30)21-9-7-19(31-21)14-32-22-10-8-20(25-26-22)17-3-5-18(24)6-4-17/h3-10,15H,11-14H2,1-2H3
InChIKeyLESHPWBEWCYPFV-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.86
Rot. Bonds5

About 1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone

1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone (PubChem CID 6412558) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone
PubChem CID6412558
Molecular FormulaC23H23FN4O3S
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC Name1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(CSc3ccc(-c4ccc(F)cc4)nn3)o2)CC1C
InChIInChI=1S/C23H23FN4O3S/c1-15-13-27(11-12-28(15)16(2)29)23(30)21-9-7-19(31-21)14-32-22-10-8-20(25-26-22)17-3-5-18(24)6-4-17/h3-10,15H,11-14H2,1-2H3
InChIKeyLESHPWBEWCYPFV-UHFFFAOYSA-N
XLogP3.86
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 6402585
morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone
CID 6402590
N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
CID 6402607
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 6404234
(4-benzylpiperazin-1-yl)-[5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]methanone
CID 30859853
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide
CID 3228068
(4-methylpiperidin-1-yl)-[4-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]methanone
CID 6414107
3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine
CID 7205692
N-pentyl-5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
CID 42763760
[4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 112811867
3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine
CID 7502818
tert-butyl (2S)-4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 134296926

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone (CID 6412558) is 1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(CSc3ccc(-c4ccc(F)cc4)nn3)o2)CC1C.
What is the InChIKey of 1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone?
The InChIKey is LESHPWBEWCYPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c1-15-13-27(11-12-28(15)16(2)29)23(30)21-9-7-19(31-21)14-32-22-10-8-20(25-26-22)17-3-5-18(24)6-4-17/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone?
1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone has a molecular weight of 454.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 6412558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).