N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide

C30H27FN6O2 — CID 154598031

About N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide

N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 154598031) has the molecular formula C30H27FN6O2 and a molecular weight of 522.58 g/mol. Its IUPAC name is N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
• PubChem CID: 154598031
• Molecular Formula: C30H27FN6O2
• Molecular Weight: 522.58 g/mol
• Exact Mass: 522.22
• IUPAC Name: N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
• SMILES: Cc1cccc([C@@H]2[C@@H](NC(=O)c3ccn(C)n3)[C@@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
• InChI: InChI=1S/C30H27FN6O2/c1-18-5-4-6-20(15-18)28-27(33-29(38)25-13-14-35(3)34-25)19(2)30(39)36(28)24-11-12-26-21(16-24)17-32-37(26)23-9-7-22(31)8-10-23/h4-17,19,27-28H,1-3H3,(H,33,38)/t19-,27+,28-/m1/s1
• InChIKey: LRRHNZCONJUURW-KHWNGSORSA-N
• XLogP: 4.73
• 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	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide (CID 154598031) is N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide.

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

The canonical SMILES for N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide is Cc1cccc([C@@H]2[C@@H](NC(=O)c3ccn(C)n3)[C@@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.

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

The InChIKey is LRRHNZCONJUURW-KHWNGSORSA-N. The full InChI is InChI=1S/C30H27FN6O2/c1-18-5-4-6-20(15-18)28-27(33-29(38)25-13-14-35(3)34-25)19(2)30(39)36(28)24-11-12-26-21(16-24)17-32-37(26)23-9-7-22(31)8-10-23/h4-17,19,27-28H,1-3H3,(H,33,38)/t19-,27+,28-/m1/s1.

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

N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 522.58 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 154598031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).