3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine

C17H18N4O — CID 165421151

IUPAC3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine
SMILESc1cncc(-c2ccc(CN3CCC(c4ccn[nH]4)C3)o2)c1
InChIInChI=1S/C17H18N4O/c1-2-13(10-18-7-1)17-4-3-15(22-17)12-21-9-6-14(11-21)16-5-8-19-20-16/h1-5,7-8,10,14H,6,9,11-12H2,(H,19,20)
InChIKeyJYCIIEXTXLBGGB-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.05
Rot. Bonds4

About 3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine

3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine (PubChem CID 165421151) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine.

Molecular Properties

Compound Name3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine
PubChem CID165421151
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine
SMILESc1cncc(-c2ccc(CN3CCC(c4ccn[nH]4)C3)o2)c1
InChIInChI=1S/C17H18N4O/c1-2-13(10-18-7-1)17-4-3-15(22-17)12-21-9-6-14(11-21)16-5-8-19-20-16/h1-5,7-8,10,14H,6,9,11-12H2,(H,19,20)
InChIKeyJYCIIEXTXLBGGB-UHFFFAOYSA-N
XLogP3.05
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine?
The IUPAC name of 3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine (CID 165421151) is 3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine.
What is the SMILES notation for 3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine?
The canonical SMILES for 3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine is c1cncc(-c2ccc(CN3CCC(c4ccn[nH]4)C3)o2)c1.
What is the InChIKey of 3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine?
The InChIKey is JYCIIEXTXLBGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-13(10-18-7-1)17-4-3-15(22-17)12-21-9-6-14(11-21)16-5-8-19-20-16/h1-5,7-8,10,14H,6,9,11-12H2,(H,19,20).
What are the key properties of 3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine?
3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine has a molecular weight of 294.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-yl]pyridine is sourced from PubChem (CID 165421151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).