1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid

C16H18N4O2 — CID 167912108

IUPAC1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2nc3ccccn3c2C#N)C1
InChIInChI=1S/C16H18N4O2/c1-2-16(15(21)22)7-5-8-19(11-16)14-12(10-17)20-9-4-3-6-13(20)18-14/h3-4,6,9H,2,5,7-8,11H2,1H3,(H,21,22)
InChIKeyLUKPWZYWGJQWPT-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.29
Rot. Bonds3

About 1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid

1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 167912108) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID167912108
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2nc3ccccn3c2C#N)C1
InChIInChI=1S/C16H18N4O2/c1-2-16(15(21)22)7-5-8-19(11-16)14-12(10-17)20-9-4-3-6-13(20)18-14/h3-4,6,9H,2,5,7-8,11H2,1H3,(H,21,22)
InChIKeyLUKPWZYWGJQWPT-UHFFFAOYSA-N
XLogP2.29
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid (CID 167912108) is 1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(c2nc3ccccn3c2C#N)C1.
What is the InChIKey of 1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is LUKPWZYWGJQWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-16(15(21)22)7-5-8-19(11-16)14-12(10-17)20-9-4-3-6-13(20)18-14/h3-4,6,9H,2,5,7-8,11H2,1H3,(H,21,22).
What are the key properties of 1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid?
1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanoimidazo[1,2-a]pyridin-2-yl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 167912108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).