7-[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 57390433

IUPAC7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2ccc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cn12
InChIInChI=1S/C24H26N6O2/c31-22-6-9-25-21-5-4-17(16-30(21)22)18-14-20-23(26-15-18)27-24(32-20)29-12-7-19(8-13-29)28-10-2-1-3-11-28/h4-6,9,14-16,19H,1-3,7-8,10-13H2
InChIKeyJFZFVXXUKMKJIL-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.35
Rot. Bonds3

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

7-[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 57390433) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 7-[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 Name7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID57390433
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2ccc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cn12
InChIInChI=1S/C24H26N6O2/c31-22-6-9-25-21-5-4-17(16-30(21)22)18-14-20-23(26-15-18)27-24(32-20)29-12-7-19(8-13-29)28-10-2-1-3-11-28/h4-6,9,14-16,19H,1-3,7-8,10-13H2
InChIKeyJFZFVXXUKMKJIL-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 7-[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 7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (CID 57390433) is 7-[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 7-[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 7-[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=c1ccnc2ccc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cn12.
What is the InChIKey of 7-[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 JFZFVXXUKMKJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c31-22-6-9-25-21-5-4-17(16-30(21)22)18-14-20-23(26-15-18)27-24(32-20)29-12-7-19(8-13-29)28-10-2-1-3-11-28/h4-6,9,14-16,19H,1-3,7-8,10-13H2.
What are the key properties of 7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
7-[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 7-[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 57390433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).