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

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Related Compounds

5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
CID 91008901
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
CID 69314809
5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one
CID 91362053
[5-[5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-ylidene]azanide;osmium(1+)
CID 142819289
N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide
CID 136635970
5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one
CID 86715526
5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole
CID 175787985
5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one
CID 69368125
N-[[5-[(1E)-1-iodoimino-2,3-dihydroinden-5-yl]-4-pyridin-4-ylfuran-2-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine
CID 142219234
N-methoxy-5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-3H-inden-1-amine
CID 91220665
5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one
CID 164560651
[[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol
CID 155895025

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).