17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

C24H30FNO — CID 77405402

About 17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol (PubChem CID 77405402) has the molecular formula C24H30FNO and a molecular weight of 367.51 g/mol. Its IUPAC name is 17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

• Compound Name: 17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
• PubChem CID: 77405402
• Molecular Formula: C24H30FNO
• Molecular Weight: 367.51 g/mol
• Exact Mass: 367.23
• IUPAC Name: 17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
• SMILES: CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3ccc(F)nc3)=CCC12
• InChI: InChI=1S/C24H30FNO/c1-23-11-9-17(27)13-16(23)4-5-18-20-7-6-19(15-3-8-22(25)26-14-15)24(20,2)12-10-21(18)23/h3-4,6,8,14,17-18,20-21,27H,5,7,9-13H2,1-2H3
• InChIKey: HSLRKIITGNGHCG-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 33.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	367.51
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?

The IUPAC name of 17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol (CID 77405402) is 17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol.

What is the SMILES notation for 17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?

The canonical SMILES for 17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol is CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3ccc(F)nc3)=CCC12.

What is the InChIKey of 17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?

The InChIKey is HSLRKIITGNGHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO/c1-23-11-9-17(27)13-16(23)4-5-18-20-7-6-19(15-3-8-22(25)26-14-15)24(20,2)12-10-21(18)23/h3-4,6,8,14,17-18,20-21,27H,5,7,9-13H2,1-2H3.

What are the key properties of 17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?

17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 367.51 g/mol, XLogP of 5.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(6-fluoro-3-pyridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 77405402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).