7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid

C13H21N3O2 — CID 90655309

IUPAC7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCCc1cnc2n1CCC(CCCN)(C(=O)O)C2
InChIInChI=1S/C13H21N3O2/c1-2-10-9-15-11-8-13(12(17)18,4-3-6-14)5-7-16(10)11/h9H,2-8,14H2,1H3,(H,17,18)
InChIKeyLZWVQAPNCQXHEO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.20
Rot. Bonds5

About 7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid

7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 90655309) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID90655309
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCCc1cnc2n1CCC(CCCN)(C(=O)O)C2
InChIInChI=1S/C13H21N3O2/c1-2-10-9-15-11-8-13(12(17)18,4-3-6-14)5-7-16(10)11/h9H,2-8,14H2,1H3,(H,17,18)
InChIKeyLZWVQAPNCQXHEO-UHFFFAOYSA-N
XLogP1.20
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid (CID 90655309) is 7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid is CCc1cnc2n1CCC(CCCN)(C(=O)O)C2.
What is the InChIKey of 7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is LZWVQAPNCQXHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-10-9-15-11-8-13(12(17)18,4-3-6-14)5-7-16(10)11/h9H,2-8,14H2,1H3,(H,17,18).
What are the key properties of 7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid?
7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 90655309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).