2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine

C16H18N4O — CID 117164220

IUPAC2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCC(Cn2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C16H18N4O/c1-19-8-6-12(10-19)11-20-15-13(4-2-7-17-15)18-16(20)14-5-3-9-21-14/h2-5,7,9,12H,6,8,10-11H2,1H3
InChIKeySZZGPMKHRFXNKC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.64
Rot. Bonds3

About 2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine

2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117164220) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID117164220
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCC(Cn2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C16H18N4O/c1-19-8-6-12(10-19)11-20-15-13(4-2-7-17-15)18-16(20)14-5-3-9-21-14/h2-5,7,9,12H,6,8,10-11H2,1H3
InChIKeySZZGPMKHRFXNKC-UHFFFAOYSA-N
XLogP2.64
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine (CID 117164220) is 2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine is CN1CCC(Cn2c(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of 2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is SZZGPMKHRFXNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-19-8-6-12(10-19)11-20-15-13(4-2-7-17-15)18-16(20)14-5-3-9-21-14/h2-5,7,9,12H,6,8,10-11H2,1H3.
What are the key properties of 2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 282.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).