4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine

C16H15BrN4O — CID 156782709

IUPAC4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine
SMILESBrc1cnc2[nH]cc(-c3ccc(N4CCOCC4)nc3)c2c1
InChIInChI=1S/C16H15BrN4O/c17-12-7-13-14(10-20-16(13)19-9-12)11-1-2-15(18-8-11)21-3-5-22-6-4-21/h1-2,7-10H,3-6H2,(H,19,20)
InChIKeyWIZRNCJFOMQAIF-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.22
Rot. Bonds2

About 4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine

4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine (PubChem CID 156782709) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is 4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine
PubChem CID156782709
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine
SMILESBrc1cnc2[nH]cc(-c3ccc(N4CCOCC4)nc3)c2c1
InChIInChI=1S/C16H15BrN4O/c17-12-7-13-14(10-20-16(13)19-9-12)11-1-2-15(18-8-11)21-3-5-22-6-4-21/h1-2,7-10H,3-6H2,(H,19,20)
InChIKeyWIZRNCJFOMQAIF-UHFFFAOYSA-N
XLogP3.22
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine (CID 156782709) is 4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine is Brc1cnc2[nH]cc(-c3ccc(N4CCOCC4)nc3)c2c1.
What is the InChIKey of 4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine?
The InChIKey is WIZRNCJFOMQAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c17-12-7-13-14(10-20-16(13)19-9-12)11-1-2-15(18-8-11)21-3-5-22-6-4-21/h1-2,7-10H,3-6H2,(H,19,20).
What are the key properties of 4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine?
4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine has a molecular weight of 359.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 156782709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).