2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine

C20H24N4O — CID 95826935

IUPAC2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
SMILESCC(C)c1nccn1-c1cccc([C@@H]2CCCN2Cc2ccco2)n1
InChIInChI=1S/C20H24N4O/c1-15(2)20-21-10-12-24(20)19-9-3-7-17(22-19)18-8-4-11-23(18)14-16-6-5-13-25-16/h3,5-7,9-10,12-13,15,18H,4,8,11,14H2,1-2H3/t18-/m0/s1
InChIKeyMHQCXMYZJXQRCY-SFHVURJKSA-N
MW336.44 g/mol
LogP4.32
Rot. Bonds5

About 2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine

2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine (PubChem CID 95826935) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
PubChem CID95826935
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
SMILESCC(C)c1nccn1-c1cccc([C@@H]2CCCN2Cc2ccco2)n1
InChIInChI=1S/C20H24N4O/c1-15(2)20-21-10-12-24(20)19-9-3-7-17(22-19)18-8-4-11-23(18)14-16-6-5-13-25-16/h3,5-7,9-10,12-13,15,18H,4,8,11,14H2,1-2H3/t18-/m0/s1
InChIKeyMHQCXMYZJXQRCY-SFHVURJKSA-N
XLogP4.32
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine?
The IUPAC name of 2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine (CID 95826935) is 2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine.
What is the SMILES notation for 2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine?
The canonical SMILES for 2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine is CC(C)c1nccn1-c1cccc([C@@H]2CCCN2Cc2ccco2)n1.
What is the InChIKey of 2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine?
The InChIKey is MHQCXMYZJXQRCY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15(2)20-21-10-12-24(20)19-9-3-7-17(22-19)18-8-4-11-23(18)14-16-6-5-13-25-16/h3,5-7,9-10,12-13,15,18H,4,8,11,14H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine?
2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine has a molecular weight of 336.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine is sourced from PubChem (CID 95826935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).