2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

C16H19N3O2 — CID 130399044

IUPAC2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCNCc1ccccc1-c1nc2n(c1C(=O)O)CCCC2
InChIInChI=1S/C16H19N3O2/c1-17-10-11-6-2-3-7-12(11)14-15(16(20)21)19-9-5-4-8-13(19)18-14/h2-3,6-7,17H,4-5,8-10H2,1H3,(H,20,21)
InChIKeyBQVZAPHPPBASEZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.30
Rot. Bonds4

About 2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 130399044) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID130399044
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCNCc1ccccc1-c1nc2n(c1C(=O)O)CCCC2
InChIInChI=1S/C16H19N3O2/c1-17-10-11-6-2-3-7-12(11)14-15(16(20)21)19-9-5-4-8-13(19)18-14/h2-3,6-7,17H,4-5,8-10H2,1H3,(H,20,21)
InChIKeyBQVZAPHPPBASEZ-UHFFFAOYSA-N
XLogP2.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (CID 130399044) is 2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is CNCc1ccccc1-c1nc2n(c1C(=O)O)CCCC2.
What is the InChIKey of 2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is BQVZAPHPPBASEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-10-11-6-2-3-7-12(11)14-15(16(20)21)19-9-5-4-8-13(19)18-14/h2-3,6-7,17H,4-5,8-10H2,1H3,(H,20,21).
What are the key properties of 2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 130399044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).