2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone

C18H20N4O2 — CID 134811356

IUPAC2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2c[nH]c3ncc(-c4ccoc4)cc23)CC1
InChIInChI=1S/C18H20N4O2/c1-21-3-5-22(6-4-21)17(23)9-15-11-20-18-16(15)8-14(10-19-18)13-2-7-24-12-13/h2,7-8,10-12H,3-6,9H2,1H3,(H,19,20)
InChIKeySVGFYHAOIMXSNK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.14
Rot. Bonds3

About 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 134811356) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID134811356
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2c[nH]c3ncc(-c4ccoc4)cc23)CC1
InChIInChI=1S/C18H20N4O2/c1-21-3-5-22(6-4-21)17(23)9-15-11-20-18-16(15)8-14(10-19-18)13-2-7-24-12-13/h2,7-8,10-12H,3-6,9H2,1H3,(H,19,20)
InChIKeySVGFYHAOIMXSNK-UHFFFAOYSA-N
XLogP2.14
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 134811356) is 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cc2c[nH]c3ncc(-c4ccoc4)cc23)CC1.
What is the InChIKey of 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is SVGFYHAOIMXSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21-3-5-22(6-4-21)17(23)9-15-11-20-18-16(15)8-14(10-19-18)13-2-7-24-12-13/h2,7-8,10-12H,3-6,9H2,1H3,(H,19,20).
What are the key properties of 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 324.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 134811356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).