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

C21H25N5O — CID 57393970

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)ccn1
InChIInChI=1S/C21H25N5O/c1-2-10-25(11-3-1)18-6-12-26(13-7-18)21-24-20-19(27-21)14-17(15-23-20)16-4-8-22-9-5-16/h4-5,8-9,14-15,18H,1-3,6-7,10-13H2
InChIKeyYSXLORQICDKXPN-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.74
Rot. Bonds3

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

2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 57393970) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID57393970
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)ccn1
InChIInChI=1S/C21H25N5O/c1-2-10-25(11-3-1)18-6-12-26(13-7-18)21-24-20-19(27-21)14-17(15-23-20)16-4-8-22-9-5-16/h4-5,8-9,14-15,18H,1-3,6-7,10-13H2
InChIKeyYSXLORQICDKXPN-UHFFFAOYSA-N
XLogP3.74
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridine (CID 57393970) is 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridine is c1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)ccn1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is YSXLORQICDKXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-10-25(11-3-1)18-6-12-26(13-7-18)21-24-20-19(27-21)14-17(15-23-20)16-4-8-22-9-5-16/h4-5,8-9,14-15,18H,1-3,6-7,10-13H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridine?
2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 363.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 57393970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).