(8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide

C24H24F2N2O — CID 78323824

IUPAC(8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide
SMILESC[C@]12C[C@H](F)[C@@H]3c4ccc(C(N)=O)cc4CC[C@H]3[C@@H]1CC=C2c1cncc(F)c1
InChIInChI=1S/C24H24F2N2O/c1-24-10-21(26)22-17-4-3-14(23(27)29)8-13(17)2-5-18(22)20(24)7-6-19(24)15-9-16(25)12-28-11-15/h3-4,6,8-9,11-12,18,20-22H,2,5,7,10H2,1H3,(H2,27,29)/t18-,20-,21-,22+,24+/m0/s1
InChIKeyRSVKUIAVQBOLPU-PVSVRJGFSA-N
MW394.47 g/mol
LogP4.82
Rot. Bonds2

About (8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide

(8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide (PubChem CID 78323824) has the molecular formula C24H24F2N2O and a molecular weight of 394.47 g/mol. Its IUPAC name is (8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide.

Molecular Properties

Compound Name(8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide
PubChem CID78323824
Molecular FormulaC24H24F2N2O
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide
SMILESC[C@]12C[C@H](F)[C@@H]3c4ccc(C(N)=O)cc4CC[C@H]3[C@@H]1CC=C2c1cncc(F)c1
InChIInChI=1S/C24H24F2N2O/c1-24-10-21(26)22-17-4-3-14(23(27)29)8-13(17)2-5-18(22)20(24)7-6-19(24)15-9-16(25)12-28-11-15/h3-4,6,8-9,11-12,18,20-22H,2,5,7,10H2,1H3,(H2,27,29)/t18-,20-,21-,22+,24+/m0/s1
InChIKeyRSVKUIAVQBOLPU-PVSVRJGFSA-N
XLogP4.82
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide?
The IUPAC name of (8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide (CID 78323824) is (8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide.
What is the SMILES notation for (8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide?
The canonical SMILES for (8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide is C[C@]12C[C@H](F)[C@@H]3c4ccc(C(N)=O)cc4CC[C@H]3[C@@H]1CC=C2c1cncc(F)c1.
What is the InChIKey of (8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide?
The InChIKey is RSVKUIAVQBOLPU-PVSVRJGFSA-N. The full InChI is InChI=1S/C24H24F2N2O/c1-24-10-21(26)22-17-4-3-14(23(27)29)8-13(17)2-5-18(22)20(24)7-6-19(24)15-9-16(25)12-28-11-15/h3-4,6,8-9,11-12,18,20-22H,2,5,7,10H2,1H3,(H2,27,29)/t18-,20-,21-,22+,24+/m0/s1.
What are the key properties of (8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide?
(8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,11S,13S,14S)-11-fluoro-17-(5-fluoro-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide is sourced from PubChem (CID 78323824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).