(2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C19H21FN4O5S — CID 126651128

IUPAC(2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCN1Cc2cc(C#CC#CC3(F)CNC3)cn2C1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H21FN4O5S/c1-18(16(25)22-27,30(2,28)29)7-8-23-11-15-9-14(10-24(15)17(23)26)5-3-4-6-19(20)12-21-13-19/h9-10,21,27H,7-8,11-13H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyIYFZBFVPVDFATK-GOSISDBHSA-N
MW436.47 g/mol
LogP-0.36
Rot. Bonds5

About (2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

(2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 126651128) has the molecular formula C19H21FN4O5S and a molecular weight of 436.47 g/mol. Its IUPAC name is (2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID126651128
Molecular FormulaC19H21FN4O5S
Molecular Weight436.47 g/mol
Exact Mass436.12
IUPAC Name(2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCN1Cc2cc(C#CC#CC3(F)CNC3)cn2C1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H21FN4O5S/c1-18(16(25)22-27,30(2,28)29)7-8-23-11-15-9-14(10-24(15)17(23)26)5-3-4-6-19(20)12-21-13-19/h9-10,21,27H,7-8,11-13H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyIYFZBFVPVDFATK-GOSISDBHSA-N
XLogP-0.36
TPSA120.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide 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)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 126651128) is (2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCN1Cc2cc(C#CC#CC3(F)CNC3)cn2C1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is IYFZBFVPVDFATK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21FN4O5S/c1-18(16(25)22-27,30(2,28)29)7-8-23-11-15-9-14(10-24(15)17(23)26)5-3-4-6-19(20)12-21-13-19/h9-10,21,27H,7-8,11-13H2,1-2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of (2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 436.47 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[6-[4-(3-fluoroazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 126651128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).