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

C23H25N5O — CID 57390431

IUPAC4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1
InChIInChI=1S/C23H25N5O/c24-15-17-4-6-18(7-5-17)19-14-21-22(25-16-19)26-23(29-21)28-12-8-20(9-13-28)27-10-2-1-3-11-27/h4-7,14,16,20H,1-3,8-13H2
InChIKeyGEZPPVOYIBDUOD-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.22
Rot. Bonds3

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

4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile (PubChem CID 57390431) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile
PubChem CID57390431
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1
InChIInChI=1S/C23H25N5O/c24-15-17-4-6-18(7-5-17)19-14-21-22(25-16-19)26-23(29-21)28-12-8-20(9-13-28)27-10-2-1-3-11-27/h4-7,14,16,20H,1-3,8-13H2
InChIKeyGEZPPVOYIBDUOD-UHFFFAOYSA-N
XLogP4.22
TPSA69.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-Oxazolo(4,5-b)pyridin-2-yl-6-phenyl-1-hexanone
CID 10085812
1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
1-[6-(4-Methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-phenylhexan-1-one
CID 122390213
1-(Oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one
CID 22486206
1-(Oxazolo[4,5-b]pyridin-2-yl)-5-phenylpentan-1-one
CID 44589338
1-(Oxazolo[4,5-b]pyridin-2-yl)-9-phenylnonan-1-one
CID 44389776
4-(6-PHENYL-OXAZOLO[4,5-b]PYRIDIN-2-YL)-1,4-DIAZA-BICYCLO[3.2.2]NONANE
CID 11244122
2-(5-Phenyloxazolo[4,5-b]pyridin-2-yl)-2,5-diazabicyclo[3.2.2]-nonane
CID 11522624
5-[2-(4-Piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyridine-3-carbonitrile
CID 46244802
6-(6-Chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 46244804
2-(4-Piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine
CID 57327814
6-(1,3-Dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 57390430

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile (CID 57390431) is 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile is N#Cc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1.
What is the InChIKey of 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile?
The InChIKey is GEZPPVOYIBDUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c24-15-17-4-6-18(7-5-17)19-14-21-22(25-16-19)26-23(29-21)28-12-8-20(9-13-28)27-10-2-1-3-11-27/h4-7,14,16,20H,1-3,8-13H2.
What are the key properties of 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile?
4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile has a molecular weight of 387.49 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 57390431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).