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

C23H29N5O — CID 57390469

IUPAC6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCCc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1
InChIInChI=1S/C23H29N5O/c1-2-18-7-6-8-20(25-18)17-15-21-22(24-16-17)26-23(29-21)28-13-9-19(10-14-28)27-11-4-3-5-12-27/h6-8,15-16,19H,2-5,9-14H2,1H3
InChIKeyVBUVGSCCBSYFOT-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.30
Rot. Bonds4

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

6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 57390469) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID57390469
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCCc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1
InChIInChI=1S/C23H29N5O/c1-2-18-7-6-8-20(25-18)17-15-21-22(24-16-17)26-23(29-21)28-13-9-19(10-14-28)27-11-4-3-5-12-27/h6-8,15-16,19H,2-5,9-14H2,1H3
InChIKeyVBUVGSCCBSYFOT-UHFFFAOYSA-N
XLogP4.30
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(6-ethyl-2-pyridinyl)-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-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 57390469) is 6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine is CCc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1.
What is the InChIKey of 6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is VBUVGSCCBSYFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-2-18-7-6-8-20(25-18)17-15-21-22(24-16-17)26-23(29-21)28-13-9-19(10-14-28)27-11-4-3-5-12-27/h6-8,15-16,19H,2-5,9-14H2,1H3.
What are the key properties of 6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 391.52 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 57390469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).