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

C16H18ClF2N3O2 — CID 18717441

IUPAC2-(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
SMILESCc1cc(Cl)c(C)nc1N1C(=O)C2CC(C(C)(F)F)CCN2C1=O
InChIInChI=1S/C16H18ClF2N3O2/c1-8-6-11(17)9(2)20-13(8)22-14(23)12-7-10(16(3,18)19)4-5-21(12)15(22)24/h6,10,12H,4-5,7H2,1-3H3
InChIKeyCHCDEVOQVJQKNJ-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.55
Rot. Bonds2

About 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

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 (PubChem CID 18717441) has the molecular formula C16H18ClF2N3O2 and a molecular weight of 357.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID18717441
Molecular FormulaC16H18ClF2N3O2
Molecular Weight357.79 g/mol
Exact Mass357.11
IUPAC Name2-(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
SMILESCc1cc(Cl)c(C)nc1N1C(=O)C2CC(C(C)(F)F)CCN2C1=O
InChIInChI=1S/C16H18ClF2N3O2/c1-8-6-11(17)9(2)20-13(8)22-14(23)12-7-10(16(3,18)19)4-5-21(12)15(22)24/h6,10,12H,4-5,7H2,1-3H3
InChIKeyCHCDEVOQVJQKNJ-UHFFFAOYSA-N
XLogP3.55
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.55
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-chloro-3,6-dimethyl-2-pyridinyl)-7-(1,1-difluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Cl)c(C)nc1N1C(=O)C2CC(C(C)(F)F)CCN2C1=O.
What is the InChIKey of 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?
The InChIKey is CHCDEVOQVJQKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF2N3O2/c1-8-6-11(17)9(2)20-13(8)22-14(23)12-7-10(16(3,18)19)4-5-21(12)15(22)24/h6,10,12H,4-5,7H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 357.79 g/mol, XLogP of 3.55, 2 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-(1,1-difluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 18717441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).