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

C26H29N5O2 — CID 57399193

IUPAC6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1ccnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccc12
InChIInChI=1S/C26H29N5O2/c1-32-22-8-11-27-24-20(6-5-7-21(22)24)18-16-23-25(28-17-18)29-26(33-23)31-14-9-19(10-15-31)30-12-3-2-4-13-30/h5-8,11,16-17,19H,2-4,9-10,12-15H2,1H3
InChIKeyCRGIVHAIVXZOCG-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.90
Rot. Bonds4

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

6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 57399193) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID57399193
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1ccnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccc12
InChIInChI=1S/C26H29N5O2/c1-32-22-8-11-27-24-20(6-5-7-21(22)24)18-16-23-25(28-17-18)29-26(33-23)31-14-9-19(10-15-31)30-12-3-2-4-13-30/h5-8,11,16-17,19H,2-4,9-10,12-15H2,1H3
InChIKeyCRGIVHAIVXZOCG-UHFFFAOYSA-N
XLogP4.90
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 57399193) is 6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine is COc1ccnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccc12.
What is the InChIKey of 6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is CRGIVHAIVXZOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-32-22-8-11-27-24-20(6-5-7-21(22)24)18-16-23-25(28-17-18)29-26(33-23)31-14-9-19(10-15-31)30-12-3-2-4-13-30/h5-8,11,16-17,19H,2-4,9-10,12-15H2,1H3.
What are the key properties of 6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 443.55 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 57399193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).