(3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

C25H39NO2 — CID 67226279

IUPAC(3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILESCC[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(C4CNCCO4)=CC[C@H]3[C@H]12
InChIInChI=1S/C25H39NO2/c1-4-16-13-17-14-18(27)7-9-24(17,2)21-8-10-25(3)19(5-6-20(25)23(16)21)22-15-26-11-12-28-22/h5,13,16,18,20-23,26-27H,4,6-12,14-15H2,1-3H3/t16-,18-,20-,21-,22?,23-,24-,25+/m0/s1
InChIKeyCVAUNWVZEPQDGG-PGWCCHFJSA-N
MW385.59 g/mol
LogP4.47
Rot. Bonds2

About (3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

(3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol (PubChem CID 67226279) has the molecular formula C25H39NO2 and a molecular weight of 385.59 g/mol. Its IUPAC name is (3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name(3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem CID67226279
Molecular FormulaC25H39NO2
Molecular Weight385.59 g/mol
Exact Mass385.30
IUPAC Name(3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILESCC[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(C4CNCCO4)=CC[C@H]3[C@H]12
InChIInChI=1S/C25H39NO2/c1-4-16-13-17-14-18(27)7-9-24(17,2)21-8-10-25(3)19(5-6-20(25)23(16)21)22-15-26-11-12-28-22/h5,13,16,18,20-23,26-27H,4,6-12,14-15H2,1-3H3/t16-,18-,20-,21-,22?,23-,24-,25+/m0/s1
InChIKeyCVAUNWVZEPQDGG-PGWCCHFJSA-N
XLogP4.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.59
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8R,9R,10R,13S,14S)-10,13-dimethyl-17-piperidin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CID 67225750
(3S,8R,9S,10R,13S,14S)-7-ethyl-17-(furan-3-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67248602
(3R,7R,8R,9S,10R,13S,14S)-7,10,13-trimethyl-17-piperidin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67226054
(3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13,16-trimethyl-17-piperazin-1-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67226154
(3S,7R,8R,9S,10R,13S,14S)-7,10,13-trimethyl-17-(1,3-thiazol-2-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67225877
3-[(8R,9R,10R,13S,14S)-7-ethyl-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]thiophene
CID 123429029
(3S,7S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7,17-triol
CID 25108320
(3R,7R,8R,9S,10S,13R,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 125462948
(8S,9R,10R,13S,14S)-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 70622313
(3R,7R,8R,9S,10R,13S,14S,16S,17S)-17-amino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7,16-triol
CID 68996033
10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 23297673
(3S,7S,8R,9S,10S,13S,14S)-7,10,13-trimethyl-17-piperidin-3-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67225181

Frequently Asked Questions

What is the IUPAC name of (3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?
The IUPAC name of (3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol (CID 67226279) is (3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for (3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?
The canonical SMILES for (3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol is CC[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(C4CNCCO4)=CC[C@H]3[C@H]12.
What is the InChIKey of (3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?
The InChIKey is CVAUNWVZEPQDGG-PGWCCHFJSA-N. The full InChI is InChI=1S/C25H39NO2/c1-4-16-13-17-14-18(27)7-9-24(17,2)21-8-10-25(3)19(5-6-20(25)23(16)21)22-15-26-11-12-28-22/h5,13,16,18,20-23,26-27H,4,6-12,14-15H2,1-3H3/t16-,18-,20-,21-,22?,23-,24-,25+/m0/s1.
What are the key properties of (3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?
(3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 385.59 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R,8R,9S,10R,13S,14S)-7-ethyl-10,13-dimethyl-17-morpholin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 67226279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).