5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole

C12H10N4O — CID 58087069

IUPAC5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CC3)n2)c2cc[nH]c2n1
InChIInChI=1S/C12H10N4O/c1-2-7(1)12-15-11(16-17-12)9-4-6-14-10-8(9)3-5-13-10/h3-7H,1-2H2,(H,13,14)
InChIKeyJDHDSHAJOIQVCP-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.49
Rot. Bonds2

About 5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole

5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 58087069) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
PubChem CID58087069
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CC3)n2)c2cc[nH]c2n1
InChIInChI=1S/C12H10N4O/c1-2-7(1)12-15-11(16-17-12)9-4-6-14-10-8(9)3-5-13-10/h3-7H,1-2H2,(H,13,14)
InChIKeyJDHDSHAJOIQVCP-UHFFFAOYSA-N
XLogP2.49
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole (CID 58087069) is 5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole is c1cc(-c2noc(C3CC3)n2)c2cc[nH]c2n1.
What is the InChIKey of 5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is JDHDSHAJOIQVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-2-7(1)12-15-11(16-17-12)9-4-6-14-10-8(9)3-5-13-10/h3-7H,1-2H2,(H,13,14).
What are the key properties of 5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 226.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 58087069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).