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

C24H29N5O — CID 57390430

IUPAC6-(1,3-dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc2c(c1)CN(c1cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c1)C2
InChIInChI=1S/C24H29N5O/c1-4-10-27(11-5-1)20-8-12-28(13-9-20)24-26-23-22(30-24)14-21(15-25-23)29-16-18-6-2-3-7-19(18)17-29/h2-3,6-7,14-15,20H,1,4-5,8-13,16-17H2
InChIKeyDYQQSERULJYPMR-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.20
Rot. Bonds3

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

6-(1,3-dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 57390430) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-(1,3-dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(1,3-dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID57390430
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name6-(1,3-dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc2c(c1)CN(c1cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c1)C2
InChIInChI=1S/C24H29N5O/c1-4-10-27(11-5-1)20-8-12-28(13-9-20)24-26-23-22(30-24)14-21(15-25-23)29-16-18-6-2-3-7-19(18)17-29/h2-3,6-7,14-15,20H,1,4-5,8-13,16-17H2
InChIKeyDYQQSERULJYPMR-UHFFFAOYSA-N
XLogP4.20
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 57390430) is 6-(1,3-dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(1,3-dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 6-(1,3-dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine is c1ccc2c(c1)CN(c1cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c1)C2.
What is the InChIKey of 6-(1,3-dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is DYQQSERULJYPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-4-10-27(11-5-1)20-8-12-28(13-9-20)24-26-23-22(30-24)14-21(15-25-23)29-16-18-6-2-3-7-19(18)17-29/h2-3,6-7,14-15,20H,1,4-5,8-13,16-17H2.
What are the key properties of 6-(1,3-dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
6-(1,3-dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 403.53 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroisoindol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 57390430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).