6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine

C19H21ClN4O — CID 90160442

IUPAC6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCCOc1nc2nc(-c3ccc(N4CCCCC4)cc3)c(Cl)cc2[nH]1
InChIInChI=1S/C19H21ClN4O/c1-2-25-19-21-16-12-15(20)17(22-18(16)23-19)13-6-8-14(9-7-13)24-10-4-3-5-11-24/h6-9,12H,2-5,10-11H2,1H3,(H,21,22,23)
InChIKeyFAKAJEGSHTUDSK-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.67
Rot. Bonds4

About 6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine

6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 90160442) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID90160442
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCCOc1nc2nc(-c3ccc(N4CCCCC4)cc3)c(Cl)cc2[nH]1
InChIInChI=1S/C19H21ClN4O/c1-2-25-19-21-16-12-15(20)17(22-18(16)23-19)13-6-8-14(9-7-13)24-10-4-3-5-11-24/h6-9,12H,2-5,10-11H2,1H3,(H,21,22,23)
InChIKeyFAKAJEGSHTUDSK-UHFFFAOYSA-N
XLogP4.67
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine (CID 90160442) is 6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine is CCOc1nc2nc(-c3ccc(N4CCCCC4)cc3)c(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is FAKAJEGSHTUDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-2-25-19-21-16-12-15(20)17(22-18(16)23-19)13-6-8-14(9-7-13)24-10-4-3-5-11-24/h6-9,12H,2-5,10-11H2,1H3,(H,21,22,23).
What are the key properties of 6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine?
6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 356.86 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 90160442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).