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

C21H24ClN5O — CID 46244804

IUPAC6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESClc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1
InChIInChI=1S/C21H24ClN5O/c22-19-6-4-5-17(24-19)15-13-18-20(23-14-15)25-21(28-18)27-11-7-16(8-12-27)26-9-2-1-3-10-26/h4-6,13-14,16H,1-3,7-12H2
InChIKeySQSFRQJPEYSNDE-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.39
Rot. Bonds3

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

6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 46244804) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID46244804
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESClc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1
InChIInChI=1S/C21H24ClN5O/c22-19-6-4-5-17(24-19)15-13-18-20(23-14-15)25-21(28-18)27-11-7-16(8-12-27)26-9-2-1-3-10-26/h4-6,13-14,16H,1-3,7-12H2
InChIKeySQSFRQJPEYSNDE-UHFFFAOYSA-N
XLogP4.39
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 46244804) is 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine is Clc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1.
What is the InChIKey of 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is SQSFRQJPEYSNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c22-19-6-4-5-17(24-19)15-13-18-20(23-14-15)25-21(28-18)27-11-7-16(8-12-27)26-9-2-1-3-10-26/h4-6,13-14,16H,1-3,7-12H2.
What are the key properties of 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 397.91 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 46244804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).