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

C23H29N3O3 — CID 122073318

IUPAC4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid
SMILESCc1cccn2cc(COc3ccc(CNCC(CC(C)C)C(=O)O)cc3)nc12
InChIInChI=1S/C23H29N3O3/c1-16(2)11-19(23(27)28)13-24-12-18-6-8-21(9-7-18)29-15-20-14-26-10-4-5-17(3)22(26)25-20/h4-10,14,16,19,24H,11-13,15H2,1-3H3,(H,27,28)
InChIKeyBCZSAQJPTAQQJH-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.06
Rot. Bonds10

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

4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid (PubChem CID 122073318) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid
PubChem CID122073318
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid
SMILESCc1cccn2cc(COc3ccc(CNCC(CC(C)C)C(=O)O)cc3)nc12
InChIInChI=1S/C23H29N3O3/c1-16(2)11-19(23(27)28)13-24-12-18-6-8-21(9-7-18)29-15-20-14-26-10-4-5-17(3)22(26)25-20/h4-10,14,16,19,24H,11-13,15H2,1-3H3,(H,27,28)
InChIKeyBCZSAQJPTAQQJH-UHFFFAOYSA-N
XLogP4.06
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]propan-2-ol
CID 95041192
2,2-dimethyl-4-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]butanoic acid
CID 122126907
(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]propanoic acid
CID 104876154
4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid
CID 122127689
4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 46510197
4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(pyridin-2-ylmethyl)benzamide
CID 16613024
N-methoxy-N-methyl-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 134028089
N-[3-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610449
4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 16608470
N-(3-hydroxy-2-pyridinyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 30946382
N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 41463647
(2R)-2-amino-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
CID 119882775

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid (CID 122073318) is 4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid is Cc1cccn2cc(COc3ccc(CNCC(CC(C)C)C(=O)O)cc3)nc12.
What is the InChIKey of 4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid?
The InChIKey is BCZSAQJPTAQQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(2)11-19(23(27)28)13-24-12-18-6-8-21(9-7-18)29-15-20-14-26-10-4-5-17(3)22(26)25-20/h4-10,14,16,19,24H,11-13,15H2,1-3H3,(H,27,28).
What are the key properties of 4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid?
4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid has a molecular weight of 395.50 g/mol, XLogP of 4.06, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]methyl]pentanoic acid is sourced from PubChem (CID 122073318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).