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

C82H103F3N20O14 — CID 159961761

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

(2S)-3-[(4S)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(2R)-3-[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine (PubChem CID 159961761) has the molecular formula C82H103F3N20O14 and a molecular weight of 1649.85 g/mol. Its IUPAC name is (2S)-3-[(4S)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(2R)-3-[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine.

Molecular Properties

• Compound Name: (2S)-3-[(4S)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(2R)-3-[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine
• PubChem CID: 159961761
• Molecular Formula: C82H103F3N20O14
• Molecular Weight: 1649.85 g/mol
• Exact Mass: 1648.79
• IUPAC Name: (2S)-3-[(4S)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(2R)-3-[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-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)NC1=O)C(=O)N1CCN(c2cc(F)cc(-c3cn[nH]c3)c2)[C@@H](C)C1.C[C@@H](C[C@@]1(C2CC2)NC(=O)NC1=O)C(=O)O.C[C@H](C[C@]1(C2CC2)NC(=O)NC1=O)C(=O)N1CCN(c2cc(F)cc(-c3cn[nH]c3)c2)[C@@H](C)C1.C[C@H](C[C@]1(C2CC2)NC(=O)NC1=O)C(=O)O.C[C@H]1CNCCN1c1cc(F)cc(-c2cn[nH]c2)c1
• InChI: InChI=1S/2C24H29FN6O3.C14H17FN4.2C10H14N2O4/c2*1-14(10-24(18-3-4-18)22(33)28-23(34)29-24)21(32)30-5-6-31(15(2)13-30)20-8-16(7-19(25)9-20)17-11-26-27-12-17;1-10-7-16-2-3-19(10)14-5-11(4-13(15)6-14)12-8-17-18-9-12;2*1-5(7(13)14)4-10(6-2-3-6)8(15)11-9(16)12-10/h2*7-9,11-12,14-15,18H,3-6,10,13H2,1-2H3,(H,26,27)(H2,28,29,33,34);4-6,8-10,16H,2-3,7H2,1H3,(H,17,18);2*5-6H,2-4H2,1H3,(H,13,14)(H2,11,12,15,16)/t14-,15+,24-;14-,15-,24-;10-;2*5-,10-/m10010/s1
• InChIKey: ODKPGRORPDOXHI-NTHOMBEOSA-N
• XLogP: 6.72
• TPSA: 455.81 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1649.85
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S)-3-[(4S)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(2R)-3-[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine (CID 159961761) is (2S)-3-[(4S)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(2R)-3-[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine.

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

The canonical SMILES for (2S)-3-[(4S)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(2R)-3-[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-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)NC1=O)C(=O)N1CCN(c2cc(F)cc(-c3cn[nH]c3)c2)[C@@H](C)C1.C[C@@H](C[C@@]1(C2CC2)NC(=O)NC1=O)C(=O)O.C[C@H](C[C@]1(C2CC2)NC(=O)NC1=O)C(=O)N1CCN(c2cc(F)cc(-c3cn[nH]c3)c2)[C@@H](C)C1.C[C@H](C[C@]1(C2CC2)NC(=O)NC1=O)C(=O)O.C[C@H]1CNCCN1c1cc(F)cc(-c2cn[nH]c2)c1.

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

The InChIKey is ODKPGRORPDOXHI-NTHOMBEOSA-N. The full InChI is InChI=1S/2C24H29FN6O3.C14H17FN4.2C10H14N2O4/c2*1-14(10-24(18-3-4-18)22(33)28-23(34)29-24)21(32)30-5-6-31(15(2)13-30)20-8-16(7-19(25)9-20)17-11-26-27-12-17;1-10-7-16-2-3-19(10)14-5-11(4-13(15)6-14)12-8-17-18-9-12;2*1-5(7(13)14)4-10(6-2-3-6)8(15)11-9(16)12-10/h2*7-9,11-12,14-15,18H,3-6,10,13H2,1-2H3,(H,26,27)(H2,28,29,33,34);4-6,8-10,16H,2-3,7H2,1H3,(H,17,18);2*5-6H,2-4H2,1H3,(H,13,14)(H2,11,12,15,16)/t14-,15+,24-;14-,15-,24-;10-;2*5-,10-/m10010/s1.

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

(2S)-3-[(4S)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(2R)-3-[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine has a molecular weight of 1649.85 g/mol, XLogP of 6.72, 22 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-[(4S)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(2R)-3-[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-2-methylpropanoic acid;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine is sourced from PubChem (CID 159961761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).