5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one

C27H28N2O2 — CID 91160419

IUPAC5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3oc(C4CCN(CC5CC5)CC4)cc3-c3ccncc3)ccc21
InChIInChI=1S/C27H28N2O2/c30-25-6-4-21-15-22(3-5-23(21)25)27-24(19-7-11-28-12-8-19)16-26(31-27)20-9-13-29(14-10-20)17-18-1-2-18/h3,5,7-8,11-12,15-16,18,20H,1-2,4,6,9-10,13-14,17H2
InChIKeyVUAUQABOSCGPRJ-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.73
Rot. Bonds5

About 5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one

5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one (PubChem CID 91160419) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one
PubChem CID91160419
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3oc(C4CCN(CC5CC5)CC4)cc3-c3ccncc3)ccc21
InChIInChI=1S/C27H28N2O2/c30-25-6-4-21-15-22(3-5-23(21)25)27-24(19-7-11-28-12-8-19)16-26(31-27)20-9-13-29(14-10-20)17-18-1-2-18/h3,5,7-8,11-12,15-16,18,20H,1-2,4,6,9-10,13-14,17H2
InChIKeyVUAUQABOSCGPRJ-UHFFFAOYSA-N
XLogP5.73
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one 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 5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one (CID 91160419) is 5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one is O=C1CCc2cc(-c3oc(C4CCN(CC5CC5)CC4)cc3-c3ccncc3)ccc21.
What is the InChIKey of 5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one?
The InChIKey is VUAUQABOSCGPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c30-25-6-4-21-15-22(3-5-23(21)25)27-24(19-7-11-28-12-8-19)16-26(31-27)20-9-13-29(14-10-20)17-18-1-2-18/h3,5,7-8,11-12,15-16,18,20H,1-2,4,6,9-10,13-14,17H2.
What are the key properties of 5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one?
5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one has a molecular weight of 412.53 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 91160419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).