(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide

C18H20ClFN4O2 — CID 95706060

IUPAC(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1)n1ncc(N2CCCCC2)c(Cl)c1=O
InChIInChI=1S/C18H20ClFN4O2/c1-12(17(25)22-14-7-5-13(20)6-8-14)24-18(26)16(19)15(11-21-24)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,25)/t12-/m1/s1
InChIKeyGZQPBYFAPFQKHJ-GFCCVEGCSA-N
MW378.84 g/mol
LogP3.23
Rot. Bonds4

About (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide

(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide (PubChem CID 95706060) has the molecular formula C18H20ClFN4O2 and a molecular weight of 378.84 g/mol. Its IUPAC name is (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide
PubChem CID95706060
Molecular FormulaC18H20ClFN4O2
Molecular Weight378.84 g/mol
Exact Mass378.13
IUPAC Name(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1)n1ncc(N2CCCCC2)c(Cl)c1=O
InChIInChI=1S/C18H20ClFN4O2/c1-12(17(25)22-14-7-5-13(20)6-8-14)24-18(26)16(19)15(11-21-24)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,25)/t12-/m1/s1
InChIKeyGZQPBYFAPFQKHJ-GFCCVEGCSA-N
XLogP3.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide (CID 95706060) is (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide is C[C@H](C(=O)Nc1ccc(F)cc1)n1ncc(N2CCCCC2)c(Cl)c1=O.
What is the InChIKey of (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide?
The InChIKey is GZQPBYFAPFQKHJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20ClFN4O2/c1-12(17(25)22-14-7-5-13(20)6-8-14)24-18(26)16(19)15(11-21-24)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,25)/t12-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide?
(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide has a molecular weight of 378.84 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 95706060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).