5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole

C17H21N5O — CID 71112564

IUPAC5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole
SMILESCC(C)c1ccc2ccn(-c3noc(C4CCNCC4)n3)c2n1
InChIInChI=1S/C17H21N5O/c1-11(2)14-4-3-12-7-10-22(15(12)19-14)17-20-16(23-21-17)13-5-8-18-9-6-13/h3-4,7,10-11,13,18H,5-6,8-9H2,1-2H3
InChIKeyHYLCVMRKDCCSDD-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.00
Rot. Bonds3

About 5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole

5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole (PubChem CID 71112564) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole
PubChem CID71112564
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole
SMILESCC(C)c1ccc2ccn(-c3noc(C4CCNCC4)n3)c2n1
InChIInChI=1S/C17H21N5O/c1-11(2)14-4-3-12-7-10-22(15(12)19-14)17-20-16(23-21-17)13-5-8-18-9-6-13/h3-4,7,10-11,13,18H,5-6,8-9H2,1-2H3
InChIKeyHYLCVMRKDCCSDD-UHFFFAOYSA-N
XLogP3.00
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole (CID 71112564) is 5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole is CC(C)c1ccc2ccn(-c3noc(C4CCNCC4)n3)c2n1.
What is the InChIKey of 5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole?
The InChIKey is HYLCVMRKDCCSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11(2)14-4-3-12-7-10-22(15(12)19-14)17-20-16(23-21-17)13-5-8-18-9-6-13/h3-4,7,10-11,13,18H,5-6,8-9H2,1-2H3.
What are the key properties of 5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole?
5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole has a molecular weight of 311.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71112564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).