tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one

C75H84F6IN25O11 — CID 160609836

About tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one

tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one (PubChem CID 160609836) has the molecular formula C75H84F6IN25O11 and a molecular weight of 1752.55 g/mol. Its IUPAC name is tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one.

Molecular Properties

• Compound Name: tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one
• PubChem CID: 160609836
• Molecular Formula: C75H84F6IN25O11
• Molecular Weight: 1752.55 g/mol
• Exact Mass: 1751.57
• IUPAC Name: tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one
• SMILES: C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CN(c4ncccn4)CC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CN(c4ncccn4)CC3=O)c2CN1C(=O)OC(C)(C)C.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.O=C1CN(c2ncccn2)CN1.O=C1CNCN1
• InChI: InChI=1S/C21H19F3N8O2.C19H25N7O3.C13H8F3NO2.C12H18IN3O2.C7H8N4O.C3H6N2O/c1-12-8-32-17(9-30(12)21(34)28-13-5-14(22)19(24)15(23)6-13)16(7-27-32)31-11-29(10-18(31)33)20-25-3-2-4-26-20;1-13-9-26-15(10-24(13)18(28)29-19(2,3)4)14(8-22-26)25-12-23(11-16(25)27)17-20-6-5-7-21-17;14-10-6-8(7-11(15)12(10)16)17-13(18)19-9-4-2-1-3-5-9;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;12-6-4-11(5-10-6)7-8-2-1-3-9-7;6-3-1-4-2-5-3/h2-7,12H,8-11H2,1H3,(H,28,34);5-8,13H,9-12H2,1-4H3;1-7H,(H,17,18);5,8H,6-7H2,1-4H3;1-3H,4-5H2,(H,10,12);4H,1-2H2,(H,5,6)/t12-;13-;;8-;;/m00.0../s1
• InChIKey: RFJFGKDINGVUHN-WGVFBLNOSA-N
• XLogP: 8.34
• TPSA: 381.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 8
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1752.55
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one?

The IUPAC name of tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one (CID 160609836) is tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one.

What is the SMILES notation for tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one?

The canonical SMILES for tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one is C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CN(c4ncccn4)CC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CN(c4ncccn4)CC3=O)c2CN1C(=O)OC(C)(C)C.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.O=C1CN(c2ncccn2)CN1.O=C1CNCN1.

What is the InChIKey of tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one?

The InChIKey is RFJFGKDINGVUHN-WGVFBLNOSA-N. The full InChI is InChI=1S/C21H19F3N8O2.C19H25N7O3.C13H8F3NO2.C12H18IN3O2.C7H8N4O.C3H6N2O/c1-12-8-32-17(9-30(12)21(34)28-13-5-14(22)19(24)15(23)6-13)16(7-27-32)31-11-29(10-18(31)33)20-25-3-2-4-26-20;1-13-9-26-15(10-24(13)18(28)29-19(2,3)4)14(8-22-26)25-12-23(11-16(25)27)17-20-6-5-7-21-17;14-10-6-8(7-11(15)12(10)16)17-13(18)19-9-4-2-1-3-5-9;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;12-6-4-11(5-10-6)7-8-2-1-3-9-7;6-3-1-4-2-5-3/h2-7,12H,8-11H2,1H3,(H,28,34);5-8,13H,9-12H2,1-4H3;1-7H,(H,17,18);5,8H,6-7H2,1-4H3;1-3H,4-5H2,(H,10,12);4H,1-2H2,(H,5,6)/t12-;13-;;8-;;/m00.0../s1.

What are the key properties of tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one?

tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one has a molecular weight of 1752.55 g/mol, XLogP of 8.34, 8 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;imidazolidin-4-one;(6S)-6-methyl-3-(5-oxo-3-pyrimidin-2-ylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate;1-pyrimidin-2-ylimidazolidin-4-one is sourced from PubChem (CID 160609836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).