4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one

C17H15FIN5O2 — CID 86582288

IUPAC4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one
SMILESCn1c(Nc2ccc(I)cc2F)c(-c2nnc(N)o2)c2c(c1=O)CCC2
InChIInChI=1S/C17H15FIN5O2/c1-24-14(21-12-6-5-8(19)7-11(12)18)13(15-22-23-17(20)26-15)9-3-2-4-10(9)16(24)25/h5-7,21H,2-4H2,1H3,(H2,20,23)
InChIKeyRWIWJVIFROVHPB-UHFFFAOYSA-N
MW467.24 g/mol
LogP2.99
Rot. Bonds3

About 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one

4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one (PubChem CID 86582288) has the molecular formula C17H15FIN5O2 and a molecular weight of 467.24 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one
PubChem CID86582288
Molecular FormulaC17H15FIN5O2
Molecular Weight467.24 g/mol
Exact Mass467.03
IUPAC Name4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one
SMILESCn1c(Nc2ccc(I)cc2F)c(-c2nnc(N)o2)c2c(c1=O)CCC2
InChIInChI=1S/C17H15FIN5O2/c1-24-14(21-12-6-5-8(19)7-11(12)18)13(15-22-23-17(20)26-15)9-3-2-4-10(9)16(24)25/h5-7,21H,2-4H2,1H3,(H2,20,23)
InChIKeyRWIWJVIFROVHPB-UHFFFAOYSA-N
XLogP2.99
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.24
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one?
The IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one (CID 86582288) is 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one.
What is the SMILES notation for 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one?
The canonical SMILES for 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one is Cn1c(Nc2ccc(I)cc2F)c(-c2nnc(N)o2)c2c(c1=O)CCC2.
What is the InChIKey of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one?
The InChIKey is RWIWJVIFROVHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FIN5O2/c1-24-14(21-12-6-5-8(19)7-11(12)18)13(15-22-23-17(20)26-15)9-3-2-4-10(9)16(24)25/h5-7,21H,2-4H2,1H3,(H2,20,23).
What are the key properties of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one?
4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one has a molecular weight of 467.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one is sourced from PubChem (CID 86582288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).