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

C22H24N6O — CID 46244802

IUPAC5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1
InChIInChI=1S/C22H24N6O/c23-12-16-10-17(14-24-13-16)18-11-20-21(25-15-18)26-22(29-20)28-8-4-19(5-9-28)27-6-2-1-3-7-27/h10-11,13-15,19H,1-9H2
InChIKeyVRXIDMZVQRZXIS-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.61
Rot. Bonds3

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

5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile (PubChem CID 46244802) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile
PubChem CID46244802
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1
InChIInChI=1S/C22H24N6O/c23-12-16-10-17(14-24-13-16)18-11-20-21(25-15-18)26-22(29-20)28-8-4-19(5-9-28)27-6-2-1-3-7-27/h10-11,13-15,19H,1-9H2
InChIKeyVRXIDMZVQRZXIS-UHFFFAOYSA-N
XLogP3.61
TPSA82.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile (CID 46244802) is 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1.
What is the InChIKey of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile?
The InChIKey is VRXIDMZVQRZXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c23-12-16-10-17(14-24-13-16)18-11-20-21(25-15-18)26-22(29-20)28-8-4-19(5-9-28)27-6-2-1-3-7-27/h10-11,13-15,19H,1-9H2.
What are the key properties of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile?
5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile has a molecular weight of 388.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 46244802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).