16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione

C25H32N2O2 — CID 4775145

IUPAC16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione
SMILESCc1c(C=C2CC3C4CCC5=CC(=O)CCC5(C)C4CCC3(C)C2=O)cnn1C
InChIInChI=1S/C25H32N2O2/c1-15-17(14-26-27(15)4)11-16-12-22-20-6-5-18-13-19(28)7-9-24(18,2)21(20)8-10-25(22,3)23(16)29/h11,13-14,20-22H,5-10,12H2,1-4H3
InChIKeySGZGWFBJNFOJSO-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.82
Rot. Bonds1

About 16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione

16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione (PubChem CID 4775145) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione.

Molecular Properties

Compound Name16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione
PubChem CID4775145
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione
SMILESCc1c(C=C2CC3C4CCC5=CC(=O)CCC5(C)C4CCC3(C)C2=O)cnn1C
InChIInChI=1S/C25H32N2O2/c1-15-17(14-26-27(15)4)11-16-12-22-20-6-5-18-13-19(28)7-9-24(18,2)21(20)8-10-25(22,3)23(16)29/h11,13-14,20-22H,5-10,12H2,1-4H3
InChIKeySGZGWFBJNFOJSO-UHFFFAOYSA-N
XLogP4.82
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione?
The IUPAC name of 16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione (CID 4775145) is 16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione.
What is the SMILES notation for 16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione?
The canonical SMILES for 16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione is Cc1c(C=C2CC3C4CCC5=CC(=O)CCC5(C)C4CCC3(C)C2=O)cnn1C.
What is the InChIKey of 16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione?
The InChIKey is SGZGWFBJNFOJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-15-17(14-26-27(15)4)11-16-12-22-20-6-5-18-13-19(28)7-9-24(18,2)21(20)8-10-25(22,3)23(16)29/h11,13-14,20-22H,5-10,12H2,1-4H3.
What are the key properties of 16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione?
16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione has a molecular weight of 392.54 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[(1,5-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione is sourced from PubChem (CID 4775145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).