8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid

C19H20FN3O2 — CID 22672636

IUPAC8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cc(NCc2c(C)cc(F)cc2C)c2nc(C)c(C(=O)O)n2c1
InChIInChI=1S/C19H20FN3O2/c1-10-5-16(18-22-13(4)17(19(24)25)23(18)9-10)21-8-15-11(2)6-14(20)7-12(15)3/h5-7,9,21H,8H2,1-4H3,(H,24,25)
InChIKeyQTCOWEKEHKQDDA-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.02
Rot. Bonds4

About 8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid

8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 22672636) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID22672636
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cc(NCc2c(C)cc(F)cc2C)c2nc(C)c(C(=O)O)n2c1
InChIInChI=1S/C19H20FN3O2/c1-10-5-16(18-22-13(4)17(19(24)25)23(18)9-10)21-8-15-11(2)6-14(20)7-12(15)3/h5-7,9,21H,8H2,1-4H3,(H,24,25)
InChIKeyQTCOWEKEHKQDDA-UHFFFAOYSA-N
XLogP4.02
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 22672636) is 8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid is Cc1cc(NCc2c(C)cc(F)cc2C)c2nc(C)c(C(=O)O)n2c1.
What is the InChIKey of 8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is QTCOWEKEHKQDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-10-5-16(18-22-13(4)17(19(24)25)23(18)9-10)21-8-15-11(2)6-14(20)7-12(15)3/h5-7,9,21H,8H2,1-4H3,(H,24,25).
What are the key properties of 8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid?
8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 341.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluoro-2,6-dimethylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 22672636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).