6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine

C23H26N6O — CID 58579694

IUPAC6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccn2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cnc2c1
InChIInChI=1S/C23H26N6O/c1-3-9-27(10-4-1)18-7-12-28(13-8-18)23-26-22-20(30-23)14-17(15-25-22)19-16-24-21-6-2-5-11-29(19)21/h2,5-6,11,14-16,18H,1,3-4,7-10,12-13H2
InChIKeyMLORCJCGXFJLDT-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.99
Rot. Bonds3

About 6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine

6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 58579694) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID58579694
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccn2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cnc2c1
InChIInChI=1S/C23H26N6O/c1-3-9-27(10-4-1)18-7-12-28(13-8-18)23-26-22-20(30-23)14-17(15-25-22)19-16-24-21-6-2-5-11-29(19)21/h2,5-6,11,14-16,18H,1,3-4,7-10,12-13H2
InChIKeyMLORCJCGXFJLDT-UHFFFAOYSA-N
XLogP3.99
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 58579694) is 6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine is c1ccn2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cnc2c1.
What is the InChIKey of 6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is MLORCJCGXFJLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-3-9-27(10-4-1)18-7-12-28(13-8-18)23-26-22-20(30-23)14-17(15-25-22)19-16-24-21-6-2-5-11-29(19)21/h2,5-6,11,14-16,18H,1,3-4,7-10,12-13H2.
What are the key properties of 6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 402.50 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazo[1,2-a]pyridin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 58579694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).