2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine

C20H21BrN2 — CID 127040025

IUPAC2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1ccc(C(CC2CCCC2)c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C20H21BrN2/c21-17-9-7-15(8-10-17)18(12-14-4-1-2-5-14)19-13-16-6-3-11-22-20(16)23-19/h3,6-11,13-14,18H,1-2,4-5,12H2,(H,22,23)
InChIKeyNDROYKVENXUMAB-UHFFFAOYSA-N
MW369.31 g/mol
LogP6.04
Rot. Bonds4

About 2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine

2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 127040025) has the molecular formula C20H21BrN2 and a molecular weight of 369.31 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID127040025
Molecular FormulaC20H21BrN2
Molecular Weight369.31 g/mol
Exact Mass368.09
IUPAC Name2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1ccc(C(CC2CCCC2)c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C20H21BrN2/c21-17-9-7-15(8-10-17)18(12-14-4-1-2-5-14)19-13-16-6-3-11-22-20(16)23-19/h3,6-11,13-14,18H,1-2,4-5,12H2,(H,22,23)
InChIKeyNDROYKVENXUMAB-UHFFFAOYSA-N
XLogP6.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.31
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine (CID 127040025) is 2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine is Brc1ccc(C(CC2CCCC2)c2cc3cccnc3[nH]2)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NDROYKVENXUMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2/c21-17-9-7-15(8-10-17)18(12-14-4-1-2-5-14)19-13-16-6-3-11-22-20(16)23-19/h3,6-11,13-14,18H,1-2,4-5,12H2,(H,22,23).
What are the key properties of 2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine?
2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 369.31 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 127040025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).