2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine

C23H26N6O — CID 57327814

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n2nccc2c1
InChIInChI=1S/C23H26N6O/c1-2-11-27(12-3-1)18-8-13-28(14-9-18)23-26-22-21(30-23)15-17(16-24-22)20-6-4-5-19-7-10-25-29(19)20/h4-7,10,15-16,18H,1-3,8-9,11-14H2
InChIKeyNUJOTGYKFPUQJP-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.99
Rot. Bonds3

About 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine

2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 57327814) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID57327814
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n2nccc2c1
InChIInChI=1S/C23H26N6O/c1-2-11-27(12-3-1)18-8-13-28(14-9-18)23-26-22-21(30-23)15-17(16-24-22)20-6-4-5-19-7-10-25-29(19)20/h4-7,10,15-16,18H,1-3,8-9,11-14H2
InChIKeyNUJOTGYKFPUQJP-UHFFFAOYSA-N
XLogP3.99
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine (CID 57327814) is 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine is c1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n2nccc2c1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is NUJOTGYKFPUQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-2-11-27(12-3-1)18-8-13-28(14-9-18)23-26-22-21(30-23)15-17(16-24-22)20-6-4-5-19-7-10-25-29(19)20/h4-7,10,15-16,18H,1-3,8-9,11-14H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine?
2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 402.50 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 57327814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).