3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride

C18H19Cl3N4O2 — CID 142763437

IUPAC3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1(c2cccc(-c3cnc4ccc(Cl)cn34)n2)CCCNC1
InChIInChI=1S/C18H17ClN4O2.2ClH/c19-12-5-6-16-21-9-14(23(16)10-12)13-3-1-4-15(22-13)18(17(24)25)7-2-8-20-11-18;;/h1,3-6,9-10,20H,2,7-8,11H2,(H,24,25);2*1H
InChIKeyFANDYEUSOLSXNQ-UHFFFAOYSA-N
MW429.74 g/mol
LogP3.60
Rot. Bonds3

About 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride

3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride (PubChem CID 142763437) has the molecular formula C18H19Cl3N4O2 and a molecular weight of 429.74 g/mol. Its IUPAC name is 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride
PubChem CID142763437
Molecular FormulaC18H19Cl3N4O2
Molecular Weight429.74 g/mol
Exact Mass428.06
IUPAC Name3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1(c2cccc(-c3cnc4ccc(Cl)cn34)n2)CCCNC1
InChIInChI=1S/C18H17ClN4O2.2ClH/c19-12-5-6-16-21-9-14(23(16)10-12)13-3-1-4-15(22-13)18(17(24)25)7-2-8-20-11-18;;/h1,3-6,9-10,20H,2,7-8,11H2,(H,24,25);2*1H
InChIKeyFANDYEUSOLSXNQ-UHFFFAOYSA-N
XLogP3.60
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.74
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride?
The IUPAC name of 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride (CID 142763437) is 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride?
The canonical SMILES for 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)C1(c2cccc(-c3cnc4ccc(Cl)cn34)n2)CCCNC1.
What is the InChIKey of 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride?
The InChIKey is FANDYEUSOLSXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2.2ClH/c19-12-5-6-16-21-9-14(23(16)10-12)13-3-1-4-15(22-13)18(17(24)25)7-2-8-20-11-18;;/h1,3-6,9-10,20H,2,7-8,11H2,(H,24,25);2*1H.
What are the key properties of 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride?
3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride has a molecular weight of 429.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 142763437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).