2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone

C15H19N3O2 — CID 53014062

IUPAC2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone
SMILESCCn1cc(CC(=O)N2CCOCC2)c2cccnc21
InChIInChI=1S/C15H19N3O2/c1-2-17-11-12(13-4-3-5-16-15(13)17)10-14(19)18-6-8-20-9-7-18/h3-5,11H,2,6-10H2,1H3
InChIKeyVWIQWRGOSXHPTN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.46
Rot. Bonds3

About 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone

2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone (PubChem CID 53014062) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone
PubChem CID53014062
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone
SMILESCCn1cc(CC(=O)N2CCOCC2)c2cccnc21
InChIInChI=1S/C15H19N3O2/c1-2-17-11-12(13-4-3-5-16-15(13)17)10-14(19)18-6-8-20-9-7-18/h3-5,11H,2,6-10H2,1H3
InChIKeyVWIQWRGOSXHPTN-UHFFFAOYSA-N
XLogP1.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone (CID 53014062) is 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone is CCn1cc(CC(=O)N2CCOCC2)c2cccnc21.
What is the InChIKey of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone?
The InChIKey is VWIQWRGOSXHPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-17-11-12(13-4-3-5-16-15(13)17)10-14(19)18-6-8-20-9-7-18/h3-5,11H,2,6-10H2,1H3.
What are the key properties of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone?
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone has a molecular weight of 273.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 53014062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).