N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide

C30H27FN6O2 — CID 154598215

About N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide

N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 154598215) has the molecular formula C30H27FN6O2 and a molecular weight of 522.58 g/mol. Its IUPAC name is N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
• PubChem CID: 154598215
• Molecular Formula: C30H27FN6O2
• Molecular Weight: 522.58 g/mol
• Exact Mass: 522.22
• IUPAC Name: N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
• SMILES: Cn1cc(C(=O)N[C@H]2[C@H](c3ccccc3)N(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(=O)C2(C)C)cn1
• InChI: InChI=1S/C30H27FN6O2/c1-30(2)27(34-28(38)21-17-32-35(3)18-21)26(19-7-5-4-6-8-19)36(29(30)39)24-13-14-25-20(15-24)16-33-37(25)23-11-9-22(31)10-12-23/h4-18,26-27H,1-3H3,(H,34,38)/t26-,27-/m0/s1
• InChIKey: CWOAXALZFBLSFA-SVBPBHIXSA-N
• XLogP: 4.81
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.58
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?

The IUPAC name of N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide (CID 154598215) is N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide.

What is the SMILES notation for N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?

The canonical SMILES for N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)N[C@H]2[C@H](c3ccccc3)N(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(=O)C2(C)C)cn1.

What is the InChIKey of N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?

The InChIKey is CWOAXALZFBLSFA-SVBPBHIXSA-N. The full InChI is InChI=1S/C30H27FN6O2/c1-30(2)27(34-28(38)21-17-32-35(3)18-21)26(19-7-5-4-6-8-19)36(29(30)39)24-13-14-25-20(15-24)16-33-37(25)23-11-9-22(31)10-12-23/h4-18,26-27H,1-3H3,(H,34,38)/t26-,27-/m0/s1.

What are the key properties of N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?

N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 522.58 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 154598215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).