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

C17H20N4O — CID 92608685

IUPAC2-(furan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCN(Cc2c(-c3ccco3)[nH]c3ncccc23)CC1
InChIInChI=1S/C17H20N4O/c1-20-7-9-21(10-8-20)12-14-13-4-2-6-18-17(13)19-16(14)15-5-3-11-22-15/h2-6,11H,7-10,12H2,1H3,(H,18,19)
InChIKeyKGMSHQORCJGTCY-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.57
Rot. Bonds3

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

2-(furan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 92608685) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(furan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID92608685
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(furan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCN(Cc2c(-c3ccco3)[nH]c3ncccc23)CC1
InChIInChI=1S/C17H20N4O/c1-20-7-9-21(10-8-20)12-14-13-4-2-6-18-17(13)19-16(14)15-5-3-11-22-15/h2-6,11H,7-10,12H2,1H3,(H,18,19)
InChIKeyKGMSHQORCJGTCY-UHFFFAOYSA-N
XLogP2.57
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(furan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine (CID 92608685) is 2-(furan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(furan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(furan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine is CN1CCN(Cc2c(-c3ccco3)[nH]c3ncccc23)CC1.
What is the InChIKey of 2-(furan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KGMSHQORCJGTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-7-9-21(10-8-20)12-14-13-4-2-6-18-17(13)19-16(14)15-5-3-11-22-15/h2-6,11H,7-10,12H2,1H3,(H,18,19).
What are the key properties of 2-(furan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
2-(furan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 296.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 92608685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).