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

C24H27N5O2 — CID 57399234

IUPAC5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)ccc2N1
InChIInChI=1S/C24H27N5O2/c30-22-14-17-12-16(4-5-20(17)26-22)18-13-21-23(25-15-18)27-24(31-21)29-10-6-19(7-11-29)28-8-2-1-3-9-28/h4-5,12-13,15,19H,1-3,6-11,14H2,(H,26,30)
InChIKeyKJQNMSKDSUGJMY-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.84
Rot. Bonds3

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

5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one (PubChem CID 57399234) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one
PubChem CID57399234
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)ccc2N1
InChIInChI=1S/C24H27N5O2/c30-22-14-17-12-16(4-5-20(17)26-22)18-13-21-23(25-15-18)27-24(31-21)29-10-6-19(7-11-29)28-8-2-1-3-9-28/h4-5,12-13,15,19H,1-3,6-11,14H2,(H,26,30)
InChIKeyKJQNMSKDSUGJMY-UHFFFAOYSA-N
XLogP3.84
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one (CID 57399234) is 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)ccc2N1.
What is the InChIKey of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one?
The InChIKey is KJQNMSKDSUGJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-22-14-17-12-16(4-5-20(17)26-22)18-13-21-23(25-15-18)27-24(31-21)29-10-6-19(7-11-29)28-8-2-1-3-9-28/h4-5,12-13,15,19H,1-3,6-11,14H2,(H,26,30).
What are the key properties of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one?
5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one has a molecular weight of 417.51 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 57399234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).