4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine

C16H23N3O — CID 139373464

IUPAC4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine
SMILESCC(C)c1cn(CCN2CCOCC2)c2ncccc12
InChIInChI=1S/C16H23N3O/c1-13(2)15-12-19(16-14(15)4-3-5-17-16)7-6-18-8-10-20-11-9-18/h3-5,12-13H,6-11H2,1-2H3
InChIKeyFPJVZICMKWGCNU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.49
Rot. Bonds4

About 4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine

4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine (PubChem CID 139373464) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine
PubChem CID139373464
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine
SMILESCC(C)c1cn(CCN2CCOCC2)c2ncccc12
InChIInChI=1S/C16H23N3O/c1-13(2)15-12-19(16-14(15)4-3-5-17-16)7-6-18-8-10-20-11-9-18/h3-5,12-13H,6-11H2,1-2H3
InChIKeyFPJVZICMKWGCNU-UHFFFAOYSA-N
XLogP2.49
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine (CID 139373464) is 4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine is CC(C)c1cn(CCN2CCOCC2)c2ncccc12.
What is the InChIKey of 4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine?
The InChIKey is FPJVZICMKWGCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)15-12-19(16-14(15)4-3-5-17-16)7-6-18-8-10-20-11-9-18/h3-5,12-13H,6-11H2,1-2H3.
What are the key properties of 4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine?
4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine has a molecular weight of 273.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]morpholine is sourced from PubChem (CID 139373464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).