4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C19H18N4O2 — CID 175791904

IUPAC4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNc1ccc(-c2cnc3cc(C4=CCN(C(=O)O)CC4)ccn23)cc1
InChIInChI=1S/C19H18N4O2/c20-16-3-1-14(2-4-16)17-12-21-18-11-15(7-10-23(17)18)13-5-8-22(9-6-13)19(24)25/h1-5,7,10-12H,6,8-9,20H2,(H,24,25)
InChIKeyNFBGWNUBFRBFHD-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.35
Rot. Bonds2

About 4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175791904) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175791904
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNc1ccc(-c2cnc3cc(C4=CCN(C(=O)O)CC4)ccn23)cc1
InChIInChI=1S/C19H18N4O2/c20-16-3-1-14(2-4-16)17-12-21-18-11-15(7-10-23(17)18)13-5-8-22(9-6-13)19(24)25/h1-5,7,10-12H,6,8-9,20H2,(H,24,25)
InChIKeyNFBGWNUBFRBFHD-UHFFFAOYSA-N
XLogP3.35
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.35
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

tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene
CID 166116770
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
4-[4-(1-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 151937084
4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 162371943
4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 66958163
3-(2-phenyl-4-pyridinyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine
CID 25260942
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310
4-(3-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 118628523
benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90182373
1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride
CID 71236690
4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 141415793
4-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 22397819

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 175791904) is 4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is Nc1ccc(-c2cnc3cc(C4=CCN(C(=O)O)CC4)ccn23)cc1.
What is the InChIKey of 4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is NFBGWNUBFRBFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-16-3-1-14(2-4-16)17-12-21-18-11-15(7-10-23(17)18)13-5-8-22(9-6-13)19(24)25/h1-5,7,10-12H,6,8-9,20H2,(H,24,25).
What are the key properties of 4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175791904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).