6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine

C18H19ClN4 — CID 82144471

IUPAC6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESCc1ccccc1-c1nc2cc(Cl)cnc2n1C1CCNCC1
InChIInChI=1S/C18H19ClN4/c1-12-4-2-3-5-15(12)17-22-16-10-13(19)11-21-18(16)23(17)14-6-8-20-9-7-14/h2-5,10-11,14,20H,6-9H2,1H3
InChIKeyLMBCIWQONHFHRF-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.98
Rot. Bonds2

About 6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine

6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine (PubChem CID 82144471) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
PubChem CID82144471
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESCc1ccccc1-c1nc2cc(Cl)cnc2n1C1CCNCC1
InChIInChI=1S/C18H19ClN4/c1-12-4-2-3-5-15(12)17-22-16-10-13(19)11-21-18(16)23(17)14-6-8-20-9-7-14/h2-5,10-11,14,20H,6-9H2,1H3
InChIKeyLMBCIWQONHFHRF-UHFFFAOYSA-N
XLogP3.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine (CID 82144471) is 6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine is Cc1ccccc1-c1nc2cc(Cl)cnc2n1C1CCNCC1.
What is the InChIKey of 6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is LMBCIWQONHFHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c1-12-4-2-3-5-15(12)17-22-16-10-13(19)11-21-18(16)23(17)14-6-8-20-9-7-14/h2-5,10-11,14,20H,6-9H2,1H3.
What are the key properties of 6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine?
6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 326.83 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 82144471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).