2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid

C19H22N4O2 — CID 82028895

IUPAC2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESCc1ccn2c(CN(C)CCc3ccncc3)c(CC(=O)O)nc2c1
InChIInChI=1S/C19H22N4O2/c1-14-5-10-23-17(16(12-19(24)25)21-18(23)11-14)13-22(2)9-6-15-3-7-20-8-4-15/h3-5,7-8,10-11H,6,9,12-13H2,1-2H3,(H,24,25)
InChIKeyZHRMHTAHVKAEIO-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.34
Rot. Bonds7

About 2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid

2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid (PubChem CID 82028895) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
PubChem CID82028895
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESCc1ccn2c(CN(C)CCc3ccncc3)c(CC(=O)O)nc2c1
InChIInChI=1S/C19H22N4O2/c1-14-5-10-23-17(16(12-19(24)25)21-18(23)11-14)13-22(2)9-6-15-3-7-20-8-4-15/h3-5,7-8,10-11H,6,9,12-13H2,1-2H3,(H,24,25)
InChIKeyZHRMHTAHVKAEIO-UHFFFAOYSA-N
XLogP2.34
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid with MolForge

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Related Compounds

1-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)propan-2-one
CID 84670710
2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028883
7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122070
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122077
1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 62613135
2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 39160003
N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 65478370
2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid
CID 146130218
[2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 82223695
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999

Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid (CID 82028895) is 2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid is Cc1ccn2c(CN(C)CCc3ccncc3)c(CC(=O)O)nc2c1.
What is the InChIKey of 2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
The InChIKey is ZHRMHTAHVKAEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-5-10-23-17(16(12-19(24)25)21-18(23)11-14)13-22(2)9-6-15-3-7-20-8-4-15/h3-5,7-8,10-11H,6,9,12-13H2,1-2H3,(H,24,25).
What are the key properties of 2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid has a molecular weight of 338.41 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid is sourced from PubChem (CID 82028895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).