5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine

C32H26BrN5O2 — CID 162171252

IUPAC5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3ccc[nH]3)cc12.COc1ccccc1-c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C18H15N3O.C14H11BrN2O/c1-22-17-7-3-2-5-13(17)15-11-21-18-14(15)9-12(10-20-18)16-6-4-8-19-16;1-18-13-5-3-2-4-10(13)12-8-17-14-11(12)6-9(15)7-16-14/h2-11,19H,1H3,(H,20,21);2-8H,1H3,(H,16,17)
InChIKeyZNUYTYUMBWCTLC-UHFFFAOYSA-N
MW592.50 g/mol
LogP8.23
Rot. Bonds5

About 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine

5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162171252) has the molecular formula C32H26BrN5O2 and a molecular weight of 592.50 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID162171252
Molecular FormulaC32H26BrN5O2
Molecular Weight592.50 g/mol
Exact Mass591.13
IUPAC Name5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3ccc[nH]3)cc12.COc1ccccc1-c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C18H15N3O.C14H11BrN2O/c1-22-17-7-3-2-5-13(17)15-11-21-18-14(15)9-12(10-20-18)16-6-4-8-19-16;1-18-13-5-3-2-4-10(13)12-8-17-14-11(12)6-9(15)7-16-14/h2-11,19H,1H3,(H,20,21);2-8H,1H3,(H,16,17)
InChIKeyZNUYTYUMBWCTLC-UHFFFAOYSA-N
XLogP8.23
TPSA91.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.50
LogP ≤ 58.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 162171252) is 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1-c1c[nH]c2ncc(-c3ccc[nH]3)cc12.COc1ccccc1-c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZNUYTYUMBWCTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O.C14H11BrN2O/c1-22-17-7-3-2-5-13(17)15-11-21-18-14(15)9-12(10-20-18)16-6-4-8-19-16;1-18-13-5-3-2-4-10(13)12-8-17-14-11(12)6-9(15)7-16-14/h2-11,19H,1H3,(H,20,21);2-8H,1H3,(H,16,17).
What are the key properties of 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 592.50 g/mol, XLogP of 8.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162171252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).