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

C14H14N4O — CID 146092130

IUPAC5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
SMILESCC[C@@H]1C[C@H]1c1nc(-c2ccnc3[nH]ccc23)no1
InChIInChI=1S/C14H14N4O/c1-2-8-7-11(8)14-17-13(18-19-14)10-4-6-16-12-9(10)3-5-15-12/h3-6,8,11H,2,7H2,1H3,(H,15,16)/t8-,11-/m1/s1
InChIKeyMQTPRAWNLJYAHV-LDYMZIIASA-N
MW254.29 g/mol
LogP3.13
Rot. Bonds3

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

5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 146092130) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
PubChem CID146092130
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
SMILESCC[C@@H]1C[C@H]1c1nc(-c2ccnc3[nH]ccc23)no1
InChIInChI=1S/C14H14N4O/c1-2-8-7-11(8)14-17-13(18-19-14)10-4-6-16-12-9(10)3-5-15-12/h3-6,8,11H,2,7H2,1H3,(H,15,16)/t8-,11-/m1/s1
InChIKeyMQTPRAWNLJYAHV-LDYMZIIASA-N
XLogP3.13
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole (CID 146092130) is 5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole is CC[C@@H]1C[C@H]1c1nc(-c2ccnc3[nH]ccc23)no1.
What is the InChIKey of 5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is MQTPRAWNLJYAHV-LDYMZIIASA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-8-7-11(8)14-17-13(18-19-14)10-4-6-16-12-9(10)3-5-15-12/h3-6,8,11H,2,7H2,1H3,(H,15,16)/t8-,11-/m1/s1.
What are the key properties of 5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 254.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 146092130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).