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

C27H25FN8O2 — CID 154598296

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

N-[(2S,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 154598296) has the molecular formula C27H25FN8O2 and a molecular weight of 512.55 g/mol. Its IUPAC name is N-[(2S,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
• PubChem CID: 154598296
• Molecular Formula: C27H25FN8O2
• Molecular Weight: 512.55 g/mol
• Exact Mass: 512.21
• IUPAC Name: N-[(2S,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
• SMILES: C[C@@H]1C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](c2ccn(C)n2)[C@H]1NC(=O)c1ccn(C)n1
• InChI: InChI=1S/C27H25FN8O2/c1-16-24(30-26(37)22-11-13-34(3)32-22)25(21-10-12-33(2)31-21)35(27(16)38)20-8-9-23-17(14-20)15-29-36(23)19-6-4-18(28)5-7-19/h4-16,24-25H,1-3H3,(H,30,37)/t16-,24-,25+/m0/s1
• InChIKey: FLVFSVPTEGOIOJ-VOFHVUKISA-N
• XLogP: 3.15
• TPSA: 102.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.55
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(2S,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide (CID 154598296) is N-[(2S,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide.

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

The canonical SMILES for N-[(2S,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide is C[C@@H]1C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](c2ccn(C)n2)[C@H]1NC(=O)c1ccn(C)n1.

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

The InChIKey is FLVFSVPTEGOIOJ-VOFHVUKISA-N. The full InChI is InChI=1S/C27H25FN8O2/c1-16-24(30-26(37)22-11-13-34(3)32-22)25(21-10-12-33(2)31-21)35(27(16)38)20-8-9-23-17(14-20)15-29-36(23)19-6-4-18(28)5-7-19/h4-16,24-25H,1-3H3,(H,30,37)/t16-,24-,25+/m0/s1.

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

N-[(2S,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 512.55 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 154598296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).