3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide

C24H28FN3O3 — CID 156790139

IUPAC3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCC2CC(=O)[C@@]3(C)CCC4c5cccc(F)c5CCC4C23)o1
InChIInChI=1S/C24H28FN3O3/c1-13-27-28-23(31-13)26-21(30)9-6-14-12-20(29)24(2)11-10-16-15-4-3-5-19(25)17(15)7-8-18(16)22(14)24/h3-5,14,16,18,22H,6-12H2,1-2H3,(H,26,28,30)/t14?,16?,18?,22?,24-/m1/s1
InChIKeyZILBLFYTTZVDSP-RQBURNHISA-N
MW425.50 g/mol
LogP4.59
Rot. Bonds4

About 3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide

3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 156790139) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID156790139
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCC2CC(=O)[C@@]3(C)CCC4c5cccc(F)c5CCC4C23)o1
InChIInChI=1S/C24H28FN3O3/c1-13-27-28-23(31-13)26-21(30)9-6-14-12-20(29)24(2)11-10-16-15-4-3-5-19(25)17(15)7-8-18(16)22(14)24/h3-5,14,16,18,22H,6-12H2,1-2H3,(H,26,28,30)/t14?,16?,18?,22?,24-/m1/s1
InChIKeyZILBLFYTTZVDSP-RQBURNHISA-N
XLogP4.59
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of 3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide (CID 156790139) is 3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for 3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide is Cc1nnc(NC(=O)CCC2CC(=O)[C@@]3(C)CCC4c5cccc(F)c5CCC4C23)o1.
What is the InChIKey of 3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is ZILBLFYTTZVDSP-RQBURNHISA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-13-27-28-23(31-13)26-21(30)9-6-14-12-20(29)24(2)11-10-16-15-4-3-5-19(25)17(15)7-8-18(16)22(14)24/h3-5,14,16,18,22H,6-12H2,1-2H3,(H,26,28,30)/t14?,16?,18?,22?,24-/m1/s1.
What are the key properties of 3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 425.50 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 156790139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).