1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine

C20H21FN4O2 — CID 88904637

IUPAC1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine
SMILESFCCOCCOCCn1ccc2cc(-c3cnc4[nH]ccc4c3)cnc21
InChIInChI=1S/C20H21FN4O2/c21-3-7-26-9-10-27-8-6-25-5-2-16-12-18(14-24-20(16)25)17-11-15-1-4-22-19(15)23-13-17/h1-2,4-5,11-14H,3,6-10H2,(H,22,23)
InChIKeyMURZEDUVLIHGJT-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.58
Rot. Bonds9

About 1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine

1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine (PubChem CID 88904637) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine
PubChem CID88904637
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine
SMILESFCCOCCOCCn1ccc2cc(-c3cnc4[nH]ccc4c3)cnc21
InChIInChI=1S/C20H21FN4O2/c21-3-7-26-9-10-27-8-6-25-5-2-16-12-18(14-24-20(16)25)17-11-15-1-4-22-19(15)23-13-17/h1-2,4-5,11-14H,3,6-10H2,(H,22,23)
InChIKeyMURZEDUVLIHGJT-UHFFFAOYSA-N
XLogP3.58
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine (CID 88904637) is 1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine is FCCOCCOCCn1ccc2cc(-c3cnc4[nH]ccc4c3)cnc21.
What is the InChIKey of 1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is MURZEDUVLIHGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-3-7-26-9-10-27-8-6-25-5-2-16-12-18(14-24-20(16)25)17-11-15-1-4-22-19(15)23-13-17/h1-2,4-5,11-14H,3,6-10H2,(H,22,23).
What are the key properties of 1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine?
1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 368.41 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 88904637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).