2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine

C25H27N5O — CID 57400952

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccc2c1
InChIInChI=1S/C25H27N5O/c1-2-12-29(13-3-1)20-9-14-30(15-10-20)25-28-24-22(31-25)16-19(17-27-24)21-8-4-6-18-7-5-11-26-23(18)21/h4-8,11,16-17,20H,1-3,9-10,12-15H2
InChIKeyOGUOOIGIPTUHSX-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.89
Rot. Bonds3

About 2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine

2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 57400952) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID57400952
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccc2c1
InChIInChI=1S/C25H27N5O/c1-2-12-29(13-3-1)20-9-14-30(15-10-20)25-28-24-22(31-25)16-19(17-27-24)21-8-4-6-18-7-5-11-26-23(18)21/h4-8,11,16-17,20H,1-3,9-10,12-15H2
InChIKeyOGUOOIGIPTUHSX-UHFFFAOYSA-N
XLogP4.89
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine (CID 57400952) is 2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine is c1cnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccc2c1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is OGUOOIGIPTUHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-2-12-29(13-3-1)20-9-14-30(15-10-20)25-28-24-22(31-25)16-19(17-27-24)21-8-4-6-18-7-5-11-26-23(18)21/h4-8,11,16-17,20H,1-3,9-10,12-15H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine?
2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 413.53 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 57400952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).