5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid

C22H27N3O2 — CID 68576195

IUPAC5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1cccc(C)c1CNc1c(C(=O)O)cc(C(C)C)c2nc(C)c(C)n12
InChIInChI=1S/C22H27N3O2/c1-12(2)17-10-18(22(26)27)20(25-16(6)15(5)24-21(17)25)23-11-19-13(3)8-7-9-14(19)4/h7-10,12,23H,11H2,1-6H3,(H,26,27)
InChIKeyDPOXSMFXBOREPO-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.00
Rot. Bonds5

About 5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid

5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 68576195) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID68576195
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1cccc(C)c1CNc1c(C(=O)O)cc(C(C)C)c2nc(C)c(C)n12
InChIInChI=1S/C22H27N3O2/c1-12(2)17-10-18(22(26)27)20(25-16(6)15(5)24-21(17)25)23-11-19-13(3)8-7-9-14(19)4/h7-10,12,23H,11H2,1-6H3,(H,26,27)
InChIKeyDPOXSMFXBOREPO-UHFFFAOYSA-N
XLogP5.00
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid (CID 68576195) is 5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid is Cc1cccc(C)c1CNc1c(C(=O)O)cc(C(C)C)c2nc(C)c(C)n12.
What is the InChIKey of 5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is DPOXSMFXBOREPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-12(2)17-10-18(22(26)27)20(25-16(6)15(5)24-21(17)25)23-11-19-13(3)8-7-9-14(19)4/h7-10,12,23H,11H2,1-6H3,(H,26,27).
What are the key properties of 5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid?
5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 365.48 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-8-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 68576195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).