2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide

C21H17F4N5O3 — CID 155351322

IUPAC2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide
SMILESO=C(NC1CCCC1O)c1cc(-c2ccc(C(F)(F)F)nc2)nn(-c2cncc(F)c2)c1=O
InChIInChI=1S/C21H17F4N5O3/c22-12-6-13(10-26-9-12)30-20(33)14(19(32)28-15-2-1-3-17(15)31)7-16(29-30)11-4-5-18(27-8-11)21(23,24)25/h4-10,15,17,31H,1-3H2,(H,28,32)
InChIKeyQGXLYJZFLOFHNZ-UHFFFAOYSA-N
MW463.39 g/mol
LogP2.49
Rot. Bonds4

About 2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide

2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide (PubChem CID 155351322) has the molecular formula C21H17F4N5O3 and a molecular weight of 463.39 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide
PubChem CID155351322
Molecular FormulaC21H17F4N5O3
Molecular Weight463.39 g/mol
Exact Mass463.13
IUPAC Name2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide
SMILESO=C(NC1CCCC1O)c1cc(-c2ccc(C(F)(F)F)nc2)nn(-c2cncc(F)c2)c1=O
InChIInChI=1S/C21H17F4N5O3/c22-12-6-13(10-26-9-12)30-20(33)14(19(32)28-15-2-1-3-17(15)31)7-16(29-30)11-4-5-18(27-8-11)21(23,24)25/h4-10,15,17,31H,1-3H2,(H,28,32)
InChIKeyQGXLYJZFLOFHNZ-UHFFFAOYSA-N
XLogP2.49
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]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

2-(5-fluoro-3-pyridinyl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide
CID 142410895
2-(5-fluoro-3-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide
CID 148614049
N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 135304046
N-[(1S)-1-cyano-2-hydroxyethyl]-2-(5-fluoro-3-pyridinyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide
CID 153406704
ethyl 2-(5-fluoro-3-pyridinyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxylate
CID 142411152
6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303968
6-(4-chlorophenyl)-N-[(1S)-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 147983067
2-(3-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide
CID 138634234
3-oxo-2-phenyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxylic acid
CID 138634201
N-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 62359230
6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-3-oxopyridazine-4-carboxamide
CID 135303923
N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126856476

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide (CID 155351322) is 2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide is O=C(NC1CCCC1O)c1cc(-c2ccc(C(F)(F)F)nc2)nn(-c2cncc(F)c2)c1=O.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide?
The InChIKey is QGXLYJZFLOFHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N5O3/c22-12-6-13(10-26-9-12)30-20(33)14(19(32)28-15-2-1-3-17(15)31)7-16(29-30)11-4-5-18(27-8-11)21(23,24)25/h4-10,15,17,31H,1-3H2,(H,28,32).
What are the key properties of 2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide?
2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide has a molecular weight of 463.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide is sourced from PubChem (CID 155351322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).