8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid

C21H27FN4O4S — CID 87913179

IUPAC8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid
SMILESCCc1cc(F)cc(C)c1CNc1c(C(N)=O)ccn2c(C)c(C)nc12.CS(=O)(=O)O
InChIInChI=1S/C20H23FN4O.CH4O3S/c1-5-14-9-15(21)8-11(2)17(14)10-23-18-16(19(22)26)6-7-25-13(4)12(3)24-20(18)25;1-5(2,3)4/h6-9,23H,5,10H2,1-4H3,(H2,22,26);1H3,(H,2,3,4)
InChIKeyLUSRORFIIWCSEX-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.18
Rot. Bonds5

About 8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid

8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid (PubChem CID 87913179) has the molecular formula C21H27FN4O4S and a molecular weight of 450.54 g/mol. Its IUPAC name is 8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid.

Molecular Properties

Compound Name8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid
PubChem CID87913179
Molecular FormulaC21H27FN4O4S
Molecular Weight450.54 g/mol
Exact Mass450.17
IUPAC Name8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid
SMILESCCc1cc(F)cc(C)c1CNc1c(C(N)=O)ccn2c(C)c(C)nc12.CS(=O)(=O)O
InChIInChI=1S/C20H23FN4O.CH4O3S/c1-5-14-9-15(21)8-11(2)17(14)10-23-18-16(19(22)26)6-7-25-13(4)12(3)24-20(18)25;1-5(2,3)4/h6-9,23H,5,10H2,1-4H3,(H2,22,26);1H3,(H,2,3,4)
InChIKeyLUSRORFIIWCSEX-UHFFFAOYSA-N
XLogP3.18
TPSA126.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid?
The IUPAC name of 8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid (CID 87913179) is 8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid.
What is the SMILES notation for 8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid?
The canonical SMILES for 8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid is CCc1cc(F)cc(C)c1CNc1c(C(N)=O)ccn2c(C)c(C)nc12.CS(=O)(=O)O.
What is the InChIKey of 8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid?
The InChIKey is LUSRORFIIWCSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O.CH4O3S/c1-5-14-9-15(21)8-11(2)17(14)10-23-18-16(19(22)26)6-7-25-13(4)12(3)24-20(18)25;1-5(2,3)4/h6-9,23H,5,10H2,1-4H3,(H2,22,26);1H3,(H,2,3,4).
What are the key properties of 8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid?
8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid has a molecular weight of 450.54 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide;methanesulfonic acid is sourced from PubChem (CID 87913179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).