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

C16H17FN4O2 — CID 18717375

IUPAC7-fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
SMILES[C-]#[N+]c1cc(C)c(N2C(=O)C3CC(C)(F)CCN3C2=O)nc1C
InChIInChI=1S/C16H17FN4O2/c1-9-7-11(18-4)10(2)19-13(9)21-14(22)12-8-16(3,17)5-6-20(12)15(21)23/h7,12H,5-6,8H2,1-3H3
InChIKeyQFUVBWKXQCTBNU-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.91
Rot. Bonds1

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

7-fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione (PubChem CID 18717375) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 7-fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name7-fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
PubChem CID18717375
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name7-fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
SMILES[C-]#[N+]c1cc(C)c(N2C(=O)C3CC(C)(F)CCN3C2=O)nc1C
InChIInChI=1S/C16H17FN4O2/c1-9-7-11(18-4)10(2)19-13(9)21-14(22)12-8-16(3,17)5-6-20(12)15(21)23/h7,12H,5-6,8H2,1-3H3
InChIKeyQFUVBWKXQCTBNU-UHFFFAOYSA-N
XLogP2.91
TPSA57.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione 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 7-fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 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) is 7-fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 7-fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 7-fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione is [C-]#[N+]c1cc(C)c(N2C(=O)C3CC(C)(F)CCN3C2=O)nc1C.
What is the InChIKey of 7-fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is QFUVBWKXQCTBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-9-7-11(18-4)10(2)19-13(9)21-14(22)12-8-16(3,17)5-6-20(12)15(21)23/h7,12H,5-6,8H2,1-3H3.
What are the key properties of 7-fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
7-fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 316.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-7-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 18717375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).