2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid

C22H27N3O3 — CID 122126907

IUPAC2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid
SMILESCc1cccn2cc(COc3ccc(CNCCC(C)(C)C(=O)O)cc3)nc12
InChIInChI=1S/C22H27N3O3/c1-16-5-4-12-25-14-18(24-20(16)25)15-28-19-8-6-17(7-9-19)13-23-11-10-22(2,3)21(26)27/h4-9,12,14,23H,10-11,13,15H2,1-3H3,(H,26,27)
InChIKeyRXEXZRJPCKUKAY-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.81
Rot. Bonds9

About 2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid

2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid (PubChem CID 122126907) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid
PubChem CID122126907
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid
SMILESCc1cccn2cc(COc3ccc(CNCCC(C)(C)C(=O)O)cc3)nc12
InChIInChI=1S/C22H27N3O3/c1-16-5-4-12-25-14-18(24-20(16)25)15-28-19-8-6-17(7-9-19)13-23-11-10-22(2,3)21(26)27/h4-9,12,14,23H,10-11,13,15H2,1-3H3,(H,26,27)
InChIKeyRXEXZRJPCKUKAY-UHFFFAOYSA-N
XLogP3.81
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid with MolForge

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Related Compounds

(2R)-1-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]propan-2-ol
CID 95041192
4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid
CID 122073318
4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(pyridin-2-ylmethyl)benzamide
CID 16613024
N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 41463647
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate
CID 55475885
N-methoxy-N-methyl-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 134028089
N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 42093656
N-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 16613165
4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 16608470
N-[[2-(methanesulfonamido)phenyl]methyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 46476484
(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]propanoic acid
CID 104876154
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 16608425

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid?
The IUPAC name of 2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid (CID 122126907) is 2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid is Cc1cccn2cc(COc3ccc(CNCCC(C)(C)C(=O)O)cc3)nc12.
What is the InChIKey of 2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid?
The InChIKey is RXEXZRJPCKUKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-5-4-12-25-14-18(24-20(16)25)15-28-19-8-6-17(7-9-19)13-23-11-10-22(2,3)21(26)27/h4-9,12,14,23H,10-11,13,15H2,1-3H3,(H,26,27).
What are the key properties of 2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid?
2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid has a molecular weight of 381.48 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid is sourced from PubChem (CID 122126907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).