14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol

C29H36FN3O3 — CID 123269941

About 14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol

14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol (PubChem CID 123269941) has the molecular formula C29H36FN3O3 and a molecular weight of 493.62 g/mol. Its IUPAC name is 14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol.

Molecular Properties

• Compound Name: 14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol
• PubChem CID: 123269941
• Molecular Formula: C29H36FN3O3
• Molecular Weight: 493.62 g/mol
• Exact Mass: 493.27
• IUPAC Name: 14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol
• SMILES: Cc1[nH]nc2cc(C3=CCC4C3(C)CC=C3CC5(F)C(O)C(O)C(N(C)C)CC56CCC34O6)ccc12
• InChI: InChI=1S/C29H36FN3O3/c1-16-19-6-5-17(13-21(19)32-31-16)20-7-8-23-26(20,2)10-9-18-14-29(30)25(35)24(34)22(33(3)4)15-27(29)11-12-28(18,23)36-27/h5-7,9,13,22-25,34-35H,8,10-12,14-15H2,1-4H3,(H,31,32)
• InChIKey: JYKWALFKCQFZJI-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 81.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.62
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol?

The IUPAC name of 14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol (CID 123269941) is 14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol.

What is the SMILES notation for 14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol?

The canonical SMILES for 14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol is Cc1[nH]nc2cc(C3=CCC4C3(C)CC=C3CC5(F)C(O)C(O)C(N(C)C)CC56CCC34O6)ccc12.

What is the InChIKey of 14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol?

The InChIKey is JYKWALFKCQFZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FN3O3/c1-16-19-6-5-17(13-21(19)32-31-16)20-7-8-23-26(20,2)10-9-18-14-29(30)25(35)24(34)22(33(3)4)15-27(29)11-12-28(18,23)36-27/h5-7,9,13,22-25,34-35H,8,10-12,14-15H2,1-4H3,(H,31,32).

What are the key properties of 14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol?

14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol has a molecular weight of 493.62 g/mol, XLogP of 4.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(dimethylamino)-11-fluoro-6-methyl-5-(3-methyl-2H-indazol-6-yl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-12,13-diol is sourced from PubChem (CID 123269941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).