(2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine

C86H107F3N16O14 — CID 159597634

About (2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine

(2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine (PubChem CID 159597634) has the molecular formula C86H107F3N16O14 and a molecular weight of 1645.89 g/mol. Its IUPAC name is (2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine.

Molecular Properties

• Compound Name: (2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine
• PubChem CID: 159597634
• Molecular Formula: C86H107F3N16O14
• Molecular Weight: 1645.89 g/mol
• Exact Mass: 1644.81
• IUPAC Name: (2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine
• SMILES: C[C@@H](C[C@@]1(C2CC2)NC(=O)CC1=O)C(=O)N1CCN(c2cc(F)cc(-c3cn[nH]c3)c2)[C@@H](C)C1.C[C@@H](C[C@@]1(C2CC2)NC(=O)CC1=O)C(=O)O.C[C@H](C[C@]1(C2CC2)NC(=O)CC1=O)C(=O)N1CCN(c2cc(F)cc(-c3cn[nH]c3)c2)[C@@H](C)C1.C[C@H](C[C@]1(C2CC2)NC(=O)CC1=O)C(=O)O.C[C@H]1CNCCN1c1cc(F)cc(-c2cn[nH]c2)c1
• InChI: InChI=1S/2C25H30FN5O3.C14H17FN4.2C11H15NO4/c2*1-15(11-25(19-3-4-19)22(32)10-23(33)29-25)24(34)30-5-6-31(16(2)14-30)21-8-17(7-20(26)9-21)18-12-27-28-13-18;1-10-7-16-2-3-19(10)14-5-11(4-13(15)6-14)12-8-17-18-9-12;2*1-6(10(15)16)5-11(7-2-3-7)8(13)4-9(14)12-11/h2*7-9,12-13,15-16,19H,3-6,10-11,14H2,1-2H3,(H,27,28)(H,29,33);4-6,8-10,16H,2-3,7H2,1H3,(H,17,18);2*6-7H,2-5H2,1H3,(H,12,14)(H,15,16)/t15-,16+,25-;15-,16-,25-;10-;2*6-,11-/m10010/s1
• InChIKey: MLBDMZFHTKNGEA-WYZJGDENSA-N
• XLogP: 7.72
• TPSA: 407.69 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1645.89
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine?

The IUPAC name of (2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine (CID 159597634) is (2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine.

What is the SMILES notation for (2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine?

The canonical SMILES for (2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine is C[C@@H](C[C@@]1(C2CC2)NC(=O)CC1=O)C(=O)N1CCN(c2cc(F)cc(-c3cn[nH]c3)c2)[C@@H](C)C1.C[C@@H](C[C@@]1(C2CC2)NC(=O)CC1=O)C(=O)O.C[C@H](C[C@]1(C2CC2)NC(=O)CC1=O)C(=O)N1CCN(c2cc(F)cc(-c3cn[nH]c3)c2)[C@@H](C)C1.C[C@H](C[C@]1(C2CC2)NC(=O)CC1=O)C(=O)O.C[C@H]1CNCCN1c1cc(F)cc(-c2cn[nH]c2)c1.

What is the InChIKey of (2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine?

The InChIKey is MLBDMZFHTKNGEA-WYZJGDENSA-N. The full InChI is InChI=1S/2C25H30FN5O3.C14H17FN4.2C11H15NO4/c2*1-15(11-25(19-3-4-19)22(32)10-23(33)29-25)24(34)30-5-6-31(16(2)14-30)21-8-17(7-20(26)9-21)18-12-27-28-13-18;1-10-7-16-2-3-19(10)14-5-11(4-13(15)6-14)12-8-17-18-9-12;2*1-6(10(15)16)5-11(7-2-3-7)8(13)4-9(14)12-11/h2*7-9,12-13,15-16,19H,3-6,10-11,14H2,1-2H3,(H,27,28)(H,29,33);4-6,8-10,16H,2-3,7H2,1H3,(H,17,18);2*6-7H,2-5H2,1H3,(H,12,14)(H,15,16)/t15-,16+,25-;15-,16-,25-;10-;2*6-,11-/m10010/s1.

What are the key properties of (2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine?

(2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine has a molecular weight of 1645.89 g/mol, XLogP of 7.72, 22 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine is sourced from PubChem (CID 159597634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).