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

C30H26FN5O2S — CID 154641950

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

N-[(3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 154641950) has the molecular formula C30H26FN5O2S and a molecular weight of 539.64 g/mol. Its IUPAC name is N-[(3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 154641950
• Molecular Formula: C30H26FN5O2S
• Molecular Weight: 539.64 g/mol
• Exact Mass: 539.18
• IUPAC Name: N-[(3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1cccc(C2[C@@H](NC(=O)c3scnc3C)[C@@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
• InChI: InChI=1S/C30H26FN5O2S/c1-17-5-4-6-20(13-17)27-26(34-29(37)28-19(3)32-16-39-28)18(2)30(38)35(27)24-11-12-25-21(14-24)15-33-36(25)23-9-7-22(31)8-10-23/h4-16,18,26-27H,1-3H3,(H,34,37)/t18-,26+,27?/m1/s1
• InChIKey: JDFNSSNKSZTIQL-UHOLRESSSA-N
• XLogP: 5.76
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.64
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 154641950) is N-[(3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-[(3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1cccc(C2[C@@H](NC(=O)c3scnc3C)[C@@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.

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

The InChIKey is JDFNSSNKSZTIQL-UHOLRESSSA-N. The full InChI is InChI=1S/C30H26FN5O2S/c1-17-5-4-6-20(13-17)27-26(34-29(37)28-19(3)32-16-39-28)18(2)30(38)35(27)24-11-12-25-21(14-24)15-33-36(25)23-9-7-22(31)8-10-23/h4-16,18,26-27H,1-3H3,(H,34,37)/t18-,26+,27?/m1/s1.

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

N-[(3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 539.64 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154641950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).