(4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide

C23H28FN3O2 — CID 66862168

About (4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide

(4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide (PubChem CID 66862168) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is (4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide.

Molecular Properties

• Compound Name: (4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
• PubChem CID: 66862168
• Molecular Formula: C23H28FN3O2
• Molecular Weight: 397.49 g/mol
• Exact Mass: 397.22
• IUPAC Name: (4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
• SMILES: CO[C@H](C)CN(C)C(=O)[C@@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2
• InChI: InChI=1S/C23H28FN3O2/c1-14(29-4)13-26(3)23(28)19-10-5-16-11-21-20(15(2)22(16)19)12-25-27(21)18-8-6-17(24)7-9-18/h6-9,12,14-15,19H,5,10-11,13H2,1-4H3/t14-,15+,19-/m1/s1
• InChIKey: ZBLRIVCCDZRDSC-ZRGWGRIASA-N
• XLogP: 3.87
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.49
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

The IUPAC name of (4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide (CID 66862168) is (4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide.

What is the SMILES notation for (4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

The canonical SMILES for (4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide is CO[C@H](C)CN(C)C(=O)[C@@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2.

What is the InChIKey of (4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

The InChIKey is ZBLRIVCCDZRDSC-ZRGWGRIASA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-14(29-4)13-26(3)23(28)19-10-5-16-11-21-20(15(2)22(16)19)12-25-27(21)18-8-6-17(24)7-9-18/h6-9,12,14-15,19H,5,10-11,13H2,1-4H3/t14-,15+,19-/m1/s1.

What are the key properties of (4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

(4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-1-(4-fluorophenyl)-N-[(2R)-2-methoxypropyl]-N,4-dimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide is sourced from PubChem (CID 66862168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).