2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone

C17H17N3O3 — CID 134807284

IUPAC2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1c[nH]c2ncc(-c3ccoc3)cc12)N1CCOCC1
InChIInChI=1S/C17H17N3O3/c21-16(20-2-5-22-6-3-20)8-14-10-19-17-15(14)7-13(9-18-17)12-1-4-23-11-12/h1,4,7,9-11H,2-3,5-6,8H2,(H,18,19)
InChIKeyOEGPVTAHAPXLBN-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.22
Rot. Bonds3

About 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone

2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone (PubChem CID 134807284) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone
PubChem CID134807284
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1c[nH]c2ncc(-c3ccoc3)cc12)N1CCOCC1
InChIInChI=1S/C17H17N3O3/c21-16(20-2-5-22-6-3-20)8-14-10-19-17-15(14)7-13(9-18-17)12-1-4-23-11-12/h1,4,7,9-11H,2-3,5-6,8H2,(H,18,19)
InChIKeyOEGPVTAHAPXLBN-UHFFFAOYSA-N
XLogP2.22
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone (CID 134807284) is 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone is O=C(Cc1c[nH]c2ncc(-c3ccoc3)cc12)N1CCOCC1.
What is the InChIKey of 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
The InChIKey is OEGPVTAHAPXLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-16(20-2-5-22-6-3-20)8-14-10-19-17-15(14)7-13(9-18-17)12-1-4-23-11-12/h1,4,7,9-11H,2-3,5-6,8H2,(H,18,19).
What are the key properties of 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone has a molecular weight of 311.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 134807284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).