(2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide

C16H25FN4O2 — CID 175920209

IUPAC(2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide
SMILESCc1cc(CCN2CC(F)C2)nn([C@@H](CC(C)C)C(N)=O)c1=O
InChIInChI=1S/C16H25FN4O2/c1-10(2)6-14(15(18)22)21-16(23)11(3)7-13(19-21)4-5-20-8-12(17)9-20/h7,10,12,14H,4-6,8-9H2,1-3H3,(H2,18,22)/t14-/m0/s1
InChIKeyKMOANOYUYTWACL-AWEZNQCLSA-N
MW324.40 g/mol
LogP0.82
Rot. Bonds7

About (2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide

(2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide (PubChem CID 175920209) has the molecular formula C16H25FN4O2 and a molecular weight of 324.40 g/mol. Its IUPAC name is (2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide
PubChem CID175920209
Molecular FormulaC16H25FN4O2
Molecular Weight324.40 g/mol
Exact Mass324.20
IUPAC Name(2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide
SMILESCc1cc(CCN2CC(F)C2)nn([C@@H](CC(C)C)C(N)=O)c1=O
InChIInChI=1S/C16H25FN4O2/c1-10(2)6-14(15(18)22)21-16(23)11(3)7-13(19-21)4-5-20-8-12(17)9-20/h7,10,12,14H,4-6,8-9H2,1-3H3,(H2,18,22)/t14-/m0/s1
InChIKeyKMOANOYUYTWACL-AWEZNQCLSA-N
XLogP0.82
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide 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 (2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide (CID 175920209) is (2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide is Cc1cc(CCN2CC(F)C2)nn([C@@H](CC(C)C)C(N)=O)c1=O.
What is the InChIKey of (2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide?
The InChIKey is KMOANOYUYTWACL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25FN4O2/c1-10(2)6-14(15(18)22)21-16(23)11(3)7-13(19-21)4-5-20-8-12(17)9-20/h7,10,12,14H,4-6,8-9H2,1-3H3,(H2,18,22)/t14-/m0/s1.
What are the key properties of (2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide?
(2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide has a molecular weight of 324.40 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide is sourced from PubChem (CID 175920209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).