3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C18H22N4O — CID 92591770

IUPAC3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCN1CCN(Cc2c(-c3ccco3)[nH]c3ncccc23)CC1
InChIInChI=1S/C18H22N4O/c1-2-21-8-10-22(11-9-21)13-15-14-5-3-7-19-18(14)20-17(15)16-6-4-12-23-16/h3-7,12H,2,8-11,13H2,1H3,(H,19,20)
InChIKeyNSLJWCNOTWYOKY-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds4

About 3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine

3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 92591770) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID92591770
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCN1CCN(Cc2c(-c3ccco3)[nH]c3ncccc23)CC1
InChIInChI=1S/C18H22N4O/c1-2-21-8-10-22(11-9-21)13-15-14-5-3-7-19-18(14)20-17(15)16-6-4-12-23-16/h3-7,12H,2,8-11,13H2,1H3,(H,19,20)
InChIKeyNSLJWCNOTWYOKY-UHFFFAOYSA-N
XLogP2.96
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 92591770) is 3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine is CCN1CCN(Cc2c(-c3ccco3)[nH]c3ncccc23)CC1.
What is the InChIKey of 3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NSLJWCNOTWYOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-21-8-10-22(11-9-21)13-15-14-5-3-7-19-18(14)20-17(15)16-6-4-12-23-16/h3-7,12H,2,8-11,13H2,1H3,(H,19,20).
What are the key properties of 3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 310.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperazin-1-yl)methyl]-2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 92591770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).