2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

C14H15N3O2 — CID 117128226

IUPAC2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESNc1ccc(-c2cn3c(n2)CCC(C(=O)O)C3)cc1
InChIInChI=1S/C14H15N3O2/c15-11-4-1-9(2-5-11)12-8-17-7-10(14(18)19)3-6-13(17)16-12/h1-2,4-5,8,10H,3,6-7,15H2,(H,18,19)
InChIKeyLUYXFMDPJKZEDU-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.78
Rot. Bonds2

About 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 117128226) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID117128226
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESNc1ccc(-c2cn3c(n2)CCC(C(=O)O)C3)cc1
InChIInChI=1S/C14H15N3O2/c15-11-4-1-9(2-5-11)12-8-17-7-10(14(18)19)3-6-13(17)16-12/h1-2,4-5,8,10H,3,6-7,15H2,(H,18,19)
InChIKeyLUYXFMDPJKZEDU-UHFFFAOYSA-N
XLogP1.78
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid
CID 82391245
1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one
CID 71131089
2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117128228
2-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153234
2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride
CID 138040505
2-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153259
2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153245
2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153230
2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153410
2-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153323
methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate
CID 117128314
methyl 2-[4-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate
CID 177207887

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid (CID 117128226) is 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid is Nc1ccc(-c2cn3c(n2)CCC(C(=O)O)C3)cc1.
What is the InChIKey of 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is LUYXFMDPJKZEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-11-4-1-9(2-5-11)12-8-17-7-10(14(18)19)3-6-13(17)16-12/h1-2,4-5,8,10H,3,6-7,15H2,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117128226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).