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

C25H33N7O — CID 57397508

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc(N2CCC(c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)CC2)nc1
InChIInChI=1S/C25H33N7O/c1-2-11-30(12-3-1)21-7-15-32(16-8-21)25-29-23-22(33-25)17-20(18-28-23)19-5-13-31(14-6-19)24-26-9-4-10-27-24/h4,9-10,17-19,21H,1-3,5-8,11-16H2
InChIKeyFHJDGFVSOIUJCH-UHFFFAOYSA-N
MW447.59 g/mol
LogP3.85
Rot. Bonds4

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

2-(4-piperidin-1-ylpiperidin-1-yl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 57397508) has the molecular formula C25H33N7O and a molecular weight of 447.59 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID57397508
Molecular FormulaC25H33N7O
Molecular Weight447.59 g/mol
Exact Mass447.27
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc(N2CCC(c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)CC2)nc1
InChIInChI=1S/C25H33N7O/c1-2-11-30(12-3-1)21-7-15-32(16-8-21)25-29-23-22(33-25)17-20(18-28-23)19-5-13-31(14-6-19)24-26-9-4-10-27-24/h4,9-10,17-19,21H,1-3,5-8,11-16H2
InChIKeyFHJDGFVSOIUJCH-UHFFFAOYSA-N
XLogP3.85
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 57397508) is 2-(4-piperidin-1-ylpiperidin-1-yl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,3]oxazolo[4,5-b]pyridine is c1cnc(N2CCC(c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)CC2)nc1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is FHJDGFVSOIUJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O/c1-2-11-30(12-3-1)21-7-15-32(16-8-21)25-29-23-22(33-25)17-20(18-28-23)19-5-13-31(14-6-19)24-26-9-4-10-27-24/h4,9-10,17-19,21H,1-3,5-8,11-16H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,3]oxazolo[4,5-b]pyridine?
2-(4-piperidin-1-ylpiperidin-1-yl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 447.59 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 57397508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).