9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one

C24H26N6O2 — CID 57395716

IUPAC9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccn12
InChIInChI=1S/C24H26N6O2/c31-21-6-9-25-23-19(5-4-12-30(21)23)17-15-20-22(26-16-17)27-24(32-20)29-13-7-18(8-14-29)28-10-2-1-3-11-28/h4-6,9,12,15-16,18H,1-3,7-8,10-11,13-14H2
InChIKeyFNQOJOQCHZMFGH-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.35
Rot. Bonds3

About 9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one

9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 57395716) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID57395716
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccn12
InChIInChI=1S/C24H26N6O2/c31-21-6-9-25-23-19(5-4-12-30(21)23)17-15-20-22(26-16-17)27-24(32-20)29-13-7-18(8-14-29)28-10-2-1-3-11-28/h4-6,9,12,15-16,18H,1-3,7-8,10-11,13-14H2
InChIKeyFNQOJOQCHZMFGH-UHFFFAOYSA-N
XLogP3.35
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (CID 57395716) is 9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one is O=c1ccnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccn12.
What is the InChIKey of 9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FNQOJOQCHZMFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c31-21-6-9-25-23-19(5-4-12-30(21)23)17-15-20-22(26-16-17)27-24(32-20)29-13-7-18(8-14-29)28-10-2-1-3-11-28/h4-6,9,12,15-16,18H,1-3,7-8,10-11,13-14H2.
What are the key properties of 9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 430.51 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 57395716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).