1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one

C30H20F2N4O3S — CID 160955496

IUPAC1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Cc1ccc(Oc2ccnn3ccc(-c4nccs4)c23)c(F)c1
InChIInChI=1S/C30H20F2N4O3S/c1-18-9-13-35(21-5-3-20(31)4-6-21)30(38)27(18)24(37)17-19-2-7-25(23(32)16-19)39-26-8-11-34-36-14-10-22(28(26)36)29-33-12-15-40-29/h2-16H,17H2,1H3
InChIKeySWIDZLJVAPGZPA-UHFFFAOYSA-N
MW554.58 g/mol
LogP6.41
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one

1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one (PubChem CID 160955496) has the molecular formula C30H20F2N4O3S and a molecular weight of 554.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one
PubChem CID160955496
Molecular FormulaC30H20F2N4O3S
Molecular Weight554.58 g/mol
Exact Mass554.12
IUPAC Name1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Cc1ccc(Oc2ccnn3ccc(-c4nccs4)c23)c(F)c1
InChIInChI=1S/C30H20F2N4O3S/c1-18-9-13-35(21-5-3-20(31)4-6-21)30(38)27(18)24(37)17-19-2-7-25(23(32)16-19)39-26-8-11-34-36-14-10-22(28(26)36)29-33-12-15-40-29/h2-16H,17H2,1H3
InChIKeySWIDZLJVAPGZPA-UHFFFAOYSA-N
XLogP6.41
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.58
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one 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

3-[2-[4-[5-(4-aminophenyl)pyrrolo[1,2-b]pyridazin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 160996124
3-[2-[3-fluoro-4-[5-(3-methylsulfonylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 152845220
3-[2-[4-[5-(1-cyclohexylpyrazol-4-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 159817869
4-[2-[3-fluoro-4-[5-(4-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 58368384
1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one
CID 159881236
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one
CID 167680891
3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
CID 152834497
1-[1-[2-[4-[5-(3-amino-4-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
CID 149208185
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one
CID 167703742
3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
CID 147404576
5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one
CID 167612571
3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
CID 160562064

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one (CID 160955496) is 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one is Cc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Cc1ccc(Oc2ccnn3ccc(-c4nccs4)c23)c(F)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one?
The InChIKey is SWIDZLJVAPGZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F2N4O3S/c1-18-9-13-35(21-5-3-20(31)4-6-21)30(38)27(18)24(37)17-19-2-7-25(23(32)16-19)39-26-8-11-34-36-14-10-22(28(26)36)29-33-12-15-40-29/h2-16H,17H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one?
1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one has a molecular weight of 554.58 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one is sourced from PubChem (CID 160955496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).