2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone

C19H18BrN3O2 — CID 175092793

IUPAC2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone
SMILESO=C(Cn1cc(Br)c2ncc(-c3ccccc3)cc21)C1CNCCO1
InChIInChI=1S/C19H18BrN3O2/c20-15-11-23(12-17(24)18-10-21-6-7-25-18)16-8-14(9-22-19(15)16)13-4-2-1-3-5-13/h1-5,8-9,11,18,21H,6-7,10,12H2
InChIKeyIYVNWCWZHZNVOL-UHFFFAOYSA-N
MW400.28 g/mol
LogP3.02
Rot. Bonds4

About 2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone

2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone (PubChem CID 175092793) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone.

Molecular Properties

Compound Name2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone
PubChem CID175092793
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone
SMILESO=C(Cn1cc(Br)c2ncc(-c3ccccc3)cc21)C1CNCCO1
InChIInChI=1S/C19H18BrN3O2/c20-15-11-23(12-17(24)18-10-21-6-7-25-18)16-8-14(9-22-19(15)16)13-4-2-1-3-5-13/h1-5,8-9,11,18,21H,6-7,10,12H2
InChIKeyIYVNWCWZHZNVOL-UHFFFAOYSA-N
XLogP3.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone?
The IUPAC name of 2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone (CID 175092793) is 2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone.
What is the SMILES notation for 2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone?
The canonical SMILES for 2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone is O=C(Cn1cc(Br)c2ncc(-c3ccccc3)cc21)C1CNCCO1.
What is the InChIKey of 2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone?
The InChIKey is IYVNWCWZHZNVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c20-15-11-23(12-17(24)18-10-21-6-7-25-18)16-8-14(9-22-19(15)16)13-4-2-1-3-5-13/h1-5,8-9,11,18,21H,6-7,10,12H2.
What are the key properties of 2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone?
2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone has a molecular weight of 400.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone is sourced from PubChem (CID 175092793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).