3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine

C23H19BrN4O2 — CID 170418861

IUPAC3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1nccc2c(C(c3ccc(Br)cc3)c3c[nH]c4c(OC)nccc34)c[nH]c12
InChIInChI=1S/C23H19BrN4O2/c1-29-22-20-15(7-9-25-22)17(11-27-20)19(13-3-5-14(24)6-4-13)18-12-28-21-16(18)8-10-26-23(21)30-2/h3-12,19,27-28H,1-2H3
InChIKeyZQOYBOACGISUTF-UHFFFAOYSA-N
MW463.34 g/mol
LogP5.40
Rot. Bonds5

About 3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine

3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine (PubChem CID 170418861) has the molecular formula C23H19BrN4O2 and a molecular weight of 463.34 g/mol. Its IUPAC name is 3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine
PubChem CID170418861
Molecular FormulaC23H19BrN4O2
Molecular Weight463.34 g/mol
Exact Mass462.07
IUPAC Name3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1nccc2c(C(c3ccc(Br)cc3)c3c[nH]c4c(OC)nccc34)c[nH]c12
InChIInChI=1S/C23H19BrN4O2/c1-29-22-20-15(7-9-25-22)17(11-27-20)19(13-3-5-14(24)6-4-13)18-12-28-21-16(18)8-10-26-23(21)30-2/h3-12,19,27-28H,1-2H3
InChIKeyZQOYBOACGISUTF-UHFFFAOYSA-N
XLogP5.40
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.34
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine (CID 170418861) is 3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine is COc1nccc2c(C(c3ccc(Br)cc3)c3c[nH]c4c(OC)nccc34)c[nH]c12.
What is the InChIKey of 3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is ZQOYBOACGISUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O2/c1-29-22-20-15(7-9-25-22)17(11-27-20)19(13-3-5-14(24)6-4-13)18-12-28-21-16(18)8-10-26-23(21)30-2/h3-12,19,27-28H,1-2H3.
What are the key properties of 3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine?
3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 463.34 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 170418861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).