(2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid

C22H36FN5O5S — CID 46852285

About (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid

(2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid (PubChem CID 46852285) has the molecular formula C22H36FN5O5S and a molecular weight of 501.63 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid.

Molecular Properties

• Compound Name: (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid
• PubChem CID: 46852285
• Molecular Formula: C22H36FN5O5S
• Molecular Weight: 501.63 g/mol
• Exact Mass: 501.24
• IUPAC Name: (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid
• SMILES: CC(C)c1nc(C[C@@H]2CC[C@](C)(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)C2(C)C)no1.CS(=O)(=O)O
• InChI: InChI=1S/C21H32FN5O2.CH4O3S/c1-13(2)19-25-17(26-29-19)8-14-6-7-21(5,20(14,3)4)24-11-18(28)27-12-15(22)9-16(27)10-23;1-5(2,3)4/h13-16,24H,6-9,11-12H2,1-5H3;1H3,(H,2,3,4)/t14-,15-,16-,21-;/m0./s1
• InChIKey: VLHHRNAATSJTFZ-STQOXTEWSA-N
• XLogP: 2.49
• TPSA: 149.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.63
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid?

The IUPAC name of (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid (CID 46852285) is (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid.

What is the SMILES notation for (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid?

The canonical SMILES for (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid is CC(C)c1nc(C[C@@H]2CC[C@](C)(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)C2(C)C)no1.CS(=O)(=O)O.

What is the InChIKey of (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid?

The InChIKey is VLHHRNAATSJTFZ-STQOXTEWSA-N. The full InChI is InChI=1S/C21H32FN5O2.CH4O3S/c1-13(2)19-25-17(26-29-19)8-14-6-7-21(5,20(14,3)4)24-11-18(28)27-12-15(22)9-16(27)10-23;1-5(2,3)4/h13-16,24H,6-9,11-12H2,1-5H3;1H3,(H,2,3,4)/t14-,15-,16-,21-;/m0./s1.

What are the key properties of (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid?

(2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid has a molecular weight of 501.63 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;methanesulfonic acid is sourced from PubChem (CID 46852285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).