2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione

C15H17ClFN3O2 — CID 18717442

IUPAC2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
SMILESCc1cc(Cl)c(C)nc1N1C(=O)C2CC(C)(F)CCN2C1=O
InChIInChI=1S/C15H17ClFN3O2/c1-8-6-10(16)9(2)18-12(8)20-13(21)11-7-15(3,17)4-5-19(11)14(20)22/h6,11H,4-5,7H2,1-3H3
InChIKeyQVUJYJXWSYUIFM-UHFFFAOYSA-N
MW325.77 g/mol
LogP3.01
Rot. Bonds1

About 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione

2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione (PubChem CID 18717442) has the molecular formula C15H17ClFN3O2 and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
PubChem CID18717442
Molecular FormulaC15H17ClFN3O2
Molecular Weight325.77 g/mol
Exact Mass325.10
IUPAC Name2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
SMILESCc1cc(Cl)c(C)nc1N1C(=O)C2CC(C)(F)CCN2C1=O
InChIInChI=1S/C15H17ClFN3O2/c1-8-6-10(16)9(2)18-12(8)20-13(21)11-7-15(3,17)4-5-19(11)14(20)22/h6,11H,4-5,7H2,1-3H3
InChIKeyQVUJYJXWSYUIFM-UHFFFAOYSA-N
XLogP3.01
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione with MolForge

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Related Compounds

1-[(2-Chloro-4-fluorophenyl)methyl]-4-(3,6-dimethyl-2-pyridinyl)piperazine-2,3-dione
CID 49839032
5-Chloro-6-(4-ethyl-3-oxopiperazin-1-yl)-2-methylpyridine-3-carbonitrile
CID 132380104
5-chloro-6-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]-2-methylpyridine-3-carbonitrile
CID 164642151
3-[3,6-Dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione
CID 18717293
3-(5-Chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione
CID 18717324
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
CID 18717328
7-Fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
CID 18717375
6-(7-Fluoro-7-methyl-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridin-2-yl)-2,5-dimethyl-1-oxidopyridin-1-ium-3-carbonitrile
CID 18717409
2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 18717436
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-(1,1-difluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 18717441
2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 18717447
3-[3,6-Dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione
CID 18731607

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione (CID 18717442) is 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione is Cc1cc(Cl)c(C)nc1N1C(=O)C2CC(C)(F)CCN2C1=O.
What is the InChIKey of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is QVUJYJXWSYUIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O2/c1-8-6-10(16)9(2)18-12(8)20-13(21)11-7-15(3,17)4-5-19(11)14(20)22/h6,11H,4-5,7H2,1-3H3.
What are the key properties of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 325.77 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-fluoro-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 18717442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).