5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate

C95H130CuF6I2N15O20Si — CID 158120378

About 5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate

5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate (PubChem CID 158120378) has the molecular formula C95H130CuF6I2N15O20Si and a molecular weight of 2261.60 g/mol. Its IUPAC name is 5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate.

Molecular Properties

• Compound Name: 5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate
• PubChem CID: 158120378
• Molecular Formula: C95H130CuF6I2N15O20Si
• Molecular Weight: 2261.60 g/mol
• Exact Mass: 2259.67
• IUPAC Name: 5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate
• SMILES: C.CCOC(=O)C=C1CC1.CCOC(=O)CC1(C[N+](=O)[O-])CC1.CCOC1(O[Si](C)(C)C)CC1.C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CC4(CC4)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC4(CC4)CC3=O)c2CN1C(=O)OC(C)(C)C.C[N+](=O)[O-].O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.O=C1CC2(CC2)CN1.[Cu]I
• InChI: InChI=1S/C21H21F3N4O2.C18H26N4O3.C13H8F3NO2.C12H18IN3O2.C8H13NO4.C8H18O2Si.C7H10O2.C6H9NO.CH3NO2.CH4.Cu.HI/c1-12-9-28-17(16(8-25-28)27-11-21(2-3-21)7-19(27)30)10-26(12)18(29)6-13-4-14(22)20(24)15(23)5-13;1-12-9-22-14(10-20(12)16(24)25-17(2,3)4)13(8-19-22)21-11-18(5-6-18)7-15(21)23;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;1-2-13-7(10)5-8(3-4-8)6-9(11)12;1-5-9-8(6-7-8)10-11(2,3)4;1-2-9-7(8)5-6-3-4-6;8-5-3-6(1-2-6)4-7-5;1-2(3)4;;;/h4-5,8,12H,2-3,6-7,9-11H2,1H3;8,12H,5-7,9-11H2,1-4H3;1-7H,(H,17,18);5,8H,6-7H2,1-4H3;2-6H2,1H3;5-7H2,1-4H3;5H,2-4H2,1H3;1-4H2,(H,7,8);1H3;1H4;;1H/q;;;;;;;;;;+1;/p-1/t2*12-;;8-;;;;;;;;/m00.0......../s1
• InChIKey: FRNMSPUEHHGOMJ-ULBNTKCESA-M
• XLogP: 18.00
• TPSA: 398.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2261.60
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The IUPAC name of 5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate (CID 158120378) is 5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate.

What is the SMILES notation for 5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The canonical SMILES for 5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate is C.CCOC(=O)C=C1CC1.CCOC(=O)CC1(C[N+](=O)[O-])CC1.CCOC1(O[Si](C)(C)C)CC1.C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CC4(CC4)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC4(CC4)CC3=O)c2CN1C(=O)OC(C)(C)C.C[N+](=O)[O-].O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.O=C1CC2(CC2)CN1.[Cu]I.

What is the InChIKey of 5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate?

The InChIKey is FRNMSPUEHHGOMJ-ULBNTKCESA-M. The full InChI is InChI=1S/C21H21F3N4O2.C18H26N4O3.C13H8F3NO2.C12H18IN3O2.C8H13NO4.C8H18O2Si.C7H10O2.C6H9NO.CH3NO2.CH4.Cu.HI/c1-12-9-28-17(16(8-25-28)27-11-21(2-3-21)7-19(27)30)10-26(12)18(29)6-13-4-14(22)20(24)15(23)5-13;1-12-9-22-14(10-20(12)16(24)25-17(2,3)4)13(8-19-22)21-11-18(5-6-18)7-15(21)23;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;1-2-13-7(10)5-8(3-4-8)6-9(11)12;1-5-9-8(6-7-8)10-11(2,3)4;1-2-9-7(8)5-6-3-4-6;8-5-3-6(1-2-6)4-7-5;1-2(3)4;;;/h4-5,8,12H,2-3,6-7,9-11H2,1H3;8,12H,5-7,9-11H2,1-4H3;1-7H,(H,17,18);5,8H,6-7H2,1-4H3;2-6H2,1H3;5-7H2,1-4H3;5H,2-4H2,1H3;1-4H2,(H,7,8);1H3;1H4;;1H/q;;;;;;;;;;+1;/p-1/t2*12-;;8-;;;;;;;;/m00.0......../s1.

What are the key properties of 5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate?

5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate has a molecular weight of 2261.60 g/mol, XLogP of 18.00, 17 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-azaspiro[2.4]heptan-6-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-(6-oxo-5-azaspiro[2.4]heptan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(1-ethoxycyclopropyl)oxy-trimethylsilane;ethyl 2-cyclopropylideneacetate;ethyl 2-[1-(nitromethyl)cyclopropyl]acetate;iodocopper;methane;5-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-6-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate is sourced from PubChem (CID 158120378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).