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

C23H23N3O — CID 10360987

IUPAC3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCCCC2)c1
InChIInChI=1S/C23H23N3O/c1-4-9-26(10-5-1)15-17-6-2-3-7-20(17)19-12-21-22(18-8-11-27-16-18)14-25-23(21)24-13-19/h2-3,6-8,11-14,16H,1,4-5,9-10,15H2,(H,24,25)
InChIKeyRIJYTQUJHYBHGZ-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.48
Rot. Bonds4

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

3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10360987) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID10360987
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCCCC2)c1
InChIInChI=1S/C23H23N3O/c1-4-9-26(10-5-1)15-17-6-2-3-7-20(17)19-12-21-22(18-8-11-27-16-18)14-25-23(21)24-13-19/h2-3,6-8,11-14,16H,1,4-5,9-10,15H2,(H,24,25)
InChIKeyRIJYTQUJHYBHGZ-UHFFFAOYSA-N
XLogP5.48
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 10360987) is 3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCCCC2)c1.
What is the InChIKey of 3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RIJYTQUJHYBHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-4-9-26(10-5-1)15-17-6-2-3-7-20(17)19-12-21-22(18-8-11-27-16-18)14-25-23(21)24-13-19/h2-3,6-8,11-14,16H,1,4-5,9-10,15H2,(H,24,25).
What are the key properties of 3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 357.46 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10360987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).