3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

C22H22N4O — CID 10066974

IUPAC3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCNCC2)c1
InChIInChI=1S/C22H22N4O/c1-2-4-19(16(3-1)14-26-8-6-23-7-9-26)18-11-20-21(17-5-10-27-15-17)13-25-22(20)24-12-18/h1-5,10-13,15,23H,6-9,14H2,(H,24,25)
InChIKeyWBWXVTHPCPQXQX-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.90
Rot. Bonds4

About 3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10066974) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID10066974
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCNCC2)c1
InChIInChI=1S/C22H22N4O/c1-2-4-19(16(3-1)14-26-8-6-23-7-9-26)18-11-20-21(17-5-10-27-15-17)13-25-22(20)24-12-18/h1-5,10-13,15,23H,6-9,14H2,(H,24,25)
InChIKeyWBWXVTHPCPQXQX-UHFFFAOYSA-N
XLogP3.90
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 10066974) is 3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCNCC2)c1.
What is the InChIKey of 3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WBWXVTHPCPQXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-2-4-19(16(3-1)14-26-8-6-23-7-9-26)18-11-20-21(17-5-10-27-15-17)13-25-22(20)24-12-18/h1-5,10-13,15,23H,6-9,14H2,(H,24,25).
What are the key properties of 3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 358.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10066974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).