1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one

C14H20BrN3O2 — CID 112533927

IUPAC1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)n1c(Br)cc2c1CCNC2
InChIInChI=1S/C14H20BrN3O2/c15-13-9-11-10-16-3-1-12(11)18(13)14(19)2-4-17-5-7-20-8-6-17/h9,16H,1-8,10H2
InChIKeySLRLWBDIXIHOSZ-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.26
Rot. Bonds3

About 1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one

1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one (PubChem CID 112533927) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one
PubChem CID112533927
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)n1c(Br)cc2c1CCNC2
InChIInChI=1S/C14H20BrN3O2/c15-13-9-11-10-16-3-1-12(11)18(13)14(19)2-4-17-5-7-20-8-6-17/h9,16H,1-8,10H2
InChIKeySLRLWBDIXIHOSZ-UHFFFAOYSA-N
XLogP1.26
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one (CID 112533927) is 1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)n1c(Br)cc2c1CCNC2.
What is the InChIKey of 1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is SLRLWBDIXIHOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c15-13-9-11-10-16-3-1-12(11)18(13)14(19)2-4-17-5-7-20-8-6-17/h9,16H,1-8,10H2.
What are the key properties of 1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one?
1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 342.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 112533927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).