2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide

C21H17F4N3O4 — CID 175383128

IUPAC2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C(O)F)C(F)F)c(=O)n(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C21H17F4N3O4/c1-32-14-7-5-11(6-8-14)16-10-15(20(30)26-17(18(23)24)19(25)29)21(31)28(27-16)13-4-2-3-12(22)9-13/h2-10,17-19,29H,1H3,(H,26,30)
InChIKeyJZUVGAJASIGPBA-UHFFFAOYSA-N
MW451.38 g/mol
LogP2.70
Rot. Bonds7

About 2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide

2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide (PubChem CID 175383128) has the molecular formula C21H17F4N3O4 and a molecular weight of 451.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide
PubChem CID175383128
Molecular FormulaC21H17F4N3O4
Molecular Weight451.38 g/mol
Exact Mass451.12
IUPAC Name2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C(O)F)C(F)F)c(=O)n(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C21H17F4N3O4/c1-32-14-7-5-11(6-8-14)16-10-15(20(30)26-17(18(23)24)19(25)29)21(31)28(27-16)13-4-2-3-12(22)9-13/h2-10,17-19,29H,1H3,(H,26,30)
InChIKeyJZUVGAJASIGPBA-UHFFFAOYSA-N
XLogP2.70
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide 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-oxo-2-pyridin-3-yl-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 175413350
2-(3-fluorophenyl)-3-oxo-N-[(2R)-1,1,4-trifluoro-3-hydroxy-3-methylbutan-2-yl]-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 175383185
6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]-3-oxopyridazine-4-carboxamide
CID 138634063
2-(3,5-difluorophenyl)-6-(4-methylphenyl)-3-oxo-N-[(2S)-1,3,3-trifluoro-2-hydroxypropyl]pyridazine-4-carboxamide
CID 175383126
6-(4-chlorophenyl)-2-(3,5-difluorophenyl)-3-oxo-N-[(2S)-1,3,3-trifluoro-2-hydroxypropyl]pyridazine-4-carboxamide
CID 175383176
6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane
CID 145407254
2-(3-fluorophenyl)-N-[(2R)-1-hydroxy-4-phenylbutan-2-yl]-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 155023004
N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide
CID 91633981
2-(3-fluorophenyl)-N-[2-hydroxy-1-[(2R)-oxolan-2-yl]ethyl]-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 155012268
2-(3-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide
CID 138634234
6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one
CID 158568894
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide (CID 175383128) is 2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide is COc1ccc(-c2cc(C(=O)NC(C(O)F)C(F)F)c(=O)n(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide?
The InChIKey is JZUVGAJASIGPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N3O4/c1-32-14-7-5-11(6-8-14)16-10-15(20(30)26-17(18(23)24)19(25)29)21(31)28(27-16)13-4-2-3-12(22)9-13/h2-10,17-19,29H,1H3,(H,26,30).
What are the key properties of 2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide?
2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide has a molecular weight of 451.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 175383128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).