5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one

C23H22N2O2 — CID 91362053

IUPAC5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3cc(CN4CCCC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C23H22N2O2/c26-22-6-4-17-13-18(3-5-20(17)22)21-14-19(15-25-11-1-2-12-25)27-23(21)16-7-9-24-10-8-16/h3,5,7-10,13-14H,1-2,4,6,11-12,15H2
InChIKeyVBOADYUVZYBHFX-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.73
Rot. Bonds4

About 5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one

5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one (PubChem CID 91362053) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one
PubChem CID91362053
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3cc(CN4CCCC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C23H22N2O2/c26-22-6-4-17-13-18(3-5-20(17)22)21-14-19(15-25-11-1-2-12-25)27-23(21)16-7-9-24-10-8-16/h3,5,7-10,13-14H,1-2,4,6,11-12,15H2
InChIKeyVBOADYUVZYBHFX-UHFFFAOYSA-N
XLogP4.73
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one (CID 91362053) is 5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one is O=C1CCc2cc(-c3cc(CN4CCCC4)oc3-c3ccncc3)ccc21.
What is the InChIKey of 5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one?
The InChIKey is VBOADYUVZYBHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-22-6-4-17-13-18(3-5-20(17)22)21-14-19(15-25-11-1-2-12-25)27-23(21)16-7-9-24-10-8-16/h3,5,7-10,13-14H,1-2,4,6,11-12,15H2.
What are the key properties of 5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one?
5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one has a molecular weight of 358.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 91362053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).