1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid

C14H13ClN4O2 — CID 122051010

IUPAC1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid
SMILESN#Cc1c(N2CCCC(C(=O)O)C2)nc2cc(Cl)ccn12
InChIInChI=1S/C14H13ClN4O2/c15-10-3-5-19-11(7-16)13(17-12(19)6-10)18-4-1-2-9(8-18)14(20)21/h3,5-6,9H,1-2,4,8H2,(H,20,21)
InChIKeyUPOBVARVMZQMJS-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.16
Rot. Bonds2

About 1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid

1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid (PubChem CID 122051010) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid
PubChem CID122051010
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid
SMILESN#Cc1c(N2CCCC(C(=O)O)C2)nc2cc(Cl)ccn12
InChIInChI=1S/C14H13ClN4O2/c15-10-3-5-19-11(7-16)13(17-12(19)6-10)18-4-1-2-9(8-18)14(20)21/h3,5-6,9H,1-2,4,8H2,(H,20,21)
InChIKeyUPOBVARVMZQMJS-UHFFFAOYSA-N
XLogP2.16
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid (CID 122051010) is 1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid is N#Cc1c(N2CCCC(C(=O)O)C2)nc2cc(Cl)ccn12.
What is the InChIKey of 1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is UPOBVARVMZQMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-10-3-5-19-11(7-16)13(17-12(19)6-10)18-4-1-2-9(8-18)14(20)21/h3,5-6,9H,1-2,4,8H2,(H,20,21).
What are the key properties of 1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid?
1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 304.74 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122051010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).