4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid

C22H25N3O4 — CID 22997460

IUPAC4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid
SMILESCc1cccc(C)c1CNc1cccn2c(C)c(COC(=O)CCC(=O)O)nc12
InChIInChI=1S/C22H25N3O4/c1-14-6-4-7-15(2)17(14)12-23-18-8-5-11-25-16(3)19(24-22(18)25)13-29-21(28)10-9-20(26)27/h4-8,11,23H,9-10,12-13H2,1-3H3,(H,26,27)
InChIKeyDQVBQFXCEKXCSC-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.78
Rot. Bonds8

About 4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid

4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid (PubChem CID 22997460) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid
PubChem CID22997460
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid
SMILESCc1cccc(C)c1CNc1cccn2c(C)c(COC(=O)CCC(=O)O)nc12
InChIInChI=1S/C22H25N3O4/c1-14-6-4-7-15(2)17(14)12-23-18-8-5-11-25-16(3)19(24-22(18)25)13-29-21(28)10-9-20(26)27/h4-8,11,23H,9-10,12-13H2,1-3H3,(H,26,27)
InChIKeyDQVBQFXCEKXCSC-UHFFFAOYSA-N
XLogP3.78
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid?
The IUPAC name of 4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid (CID 22997460) is 4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid?
The canonical SMILES for 4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid is Cc1cccc(C)c1CNc1cccn2c(C)c(COC(=O)CCC(=O)O)nc12.
What is the InChIKey of 4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid?
The InChIKey is DQVBQFXCEKXCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14-6-4-7-15(2)17(14)12-23-18-8-5-11-25-16(3)19(24-22(18)25)13-29-21(28)10-9-20(26)27/h4-8,11,23H,9-10,12-13H2,1-3H3,(H,26,27).
What are the key properties of 4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid?
4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid has a molecular weight of 395.46 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid is sourced from PubChem (CID 22997460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).