[(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

C23H26F4N4O2 — CID 26228095

About [(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

[(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 26228095) has the molecular formula C23H26F4N4O2 and a molecular weight of 466.48 g/mol. Its IUPAC name is [(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
• PubChem CID: 26228095
• Molecular Formula: C23H26F4N4O2
• Molecular Weight: 466.48 g/mol
• Exact Mass: 466.20
• IUPAC Name: [(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
• SMILES: C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccc(C(F)(F)F)cc1F)C2
• InChI: InChI=1S/C23H26F4N4O2/c1-2-7-31-20-6-5-17(28-14-15-3-4-16(12-19(15)24)23(25,26)27)13-18(20)21(29-31)22(32)30-8-10-33-11-9-30/h2-4,12,17,28H,1,5-11,13-14H2/t17-/m1/s1
• InChIKey: LEPYHHJRZHSNQN-QGZVFWFLSA-N
• XLogP: 3.35
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.48
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
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 [(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?

The IUPAC name of [(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (CID 26228095) is [(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccc(C(F)(F)F)cc1F)C2.

What is the InChIKey of [(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?

The InChIKey is LEPYHHJRZHSNQN-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26F4N4O2/c1-2-7-31-20-6-5-17(28-14-15-3-4-16(12-19(15)24)23(25,26)27)13-18(20)21(29-31)22(32)30-8-10-33-11-9-30/h2-4,12,17,28H,1,5-11,13-14H2/t17-/m1/s1.

What are the key properties of [(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?

[(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 466.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26228095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).