2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C15H17F2N3O2 — CID 18717447

IUPAC2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCc1cc(C(F)F)c(C)nc1N1C(=O)C2CCCCN2C1=O
InChIInChI=1S/C15H17F2N3O2/c1-8-7-10(12(16)17)9(2)18-13(8)20-14(21)11-5-3-4-6-19(11)15(20)22/h7,11-12H,3-6H2,1-2H3
InChIKeyBCIPCOKVCQNNNO-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.96
Rot. Bonds2

About 2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 18717447) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID18717447
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCc1cc(C(F)F)c(C)nc1N1C(=O)C2CCCCN2C1=O
InChIInChI=1S/C15H17F2N3O2/c1-8-7-10(12(16)17)9(2)18-13(8)20-14(21)11-5-3-4-6-19(11)15(20)22/h7,11-12H,3-6H2,1-2H3
InChIKeyBCIPCOKVCQNNNO-UHFFFAOYSA-N
XLogP2.96
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 18717447) is 2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is Cc1cc(C(F)F)c(C)nc1N1C(=O)C2CCCCN2C1=O.
What is the InChIKey of 2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is BCIPCOKVCQNNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-8-7-10(12(16)17)9(2)18-13(8)20-14(21)11-5-3-4-6-19(11)15(20)22/h7,11-12H,3-6H2,1-2H3.
What are the key properties of 2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 309.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-3,6-dimethyl-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 18717447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).