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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Related Compounds

PF-06447475
CID 72706840
1-[4-(4-Morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea
CID 44600806
2-Pyrimidinamine, 4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-
CID 24801184
4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-ylamine
CID 25164971
N-(2-methyl-4-(2-morpholinoethyl)phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44416019
N-(2-bromophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44416087
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 44517343
6-Bromo-2-(4-morpholin-4-ylmethyl-phenyl)-7-(4-pyridin-3-ylmethyl-piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866897
4-(4-(6-Bromo-7-(4-((1-methyl-1H-imidazol-2-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)benzyl)morpholine
CID 46867015
4-(4-(6-bromo-7-(4-(pyridin-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)benzyl)morpholine
CID 53317837
N-Cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinamine
CID 66888952
4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 72706460

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).