tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C88H106ClF9N22O15 — CID 159171702

About tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 159171702) has the molecular formula C88H106ClF9N22O15 and a molecular weight of 1918.39 g/mol. Its IUPAC name is tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 159171702
• Molecular Formula: C88H106ClF9N22O15
• Molecular Weight: 1918.39 g/mol
• Exact Mass: 1916.78
• IUPAC Name: tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: COC(=O)Cl.COC(=O)N1CC2(CC(=O)N(c3cnn4c3CN(C(=O)Cc3cc(F)c(F)c(F)c3)[C@@H](C)C4)C2)C1.C[C@H]1CN=C(C(=CN)N2CC3(CC2=O)CN(C(=O)OC(C)(C)C)C3)CN1.C[C@H]1Cn2ncc(N3CC4(CC3=O)CN(C(=O)OC(C)(C)C)C4)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC4(CNC4)CC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
• InChI: InChI=1S/C25H29F3N6O4.C23H24F3N5O4.C20H21F3N6O2.C18H29N5O3.C2H3ClO2/c1-14-9-34-19(10-32(14)22(36)30-15-5-16(26)21(28)17(27)6-15)18(8-29-34)33-13-25(7-20(33)35)11-31(12-25)23(37)38-24(2,3)4;1-13-8-31-18(9-29(13)19(32)5-14-3-15(24)21(26)16(25)4-14)17(7-27-31)30-12-23(6-20(30)33)10-28(11-23)22(34)35-2;1-11-6-29-16(15(5-25-29)28-10-20(4-17(28)30)8-24-9-20)7-27(11)19(31)26-12-2-13(21)18(23)14(22)3-12;1-12-7-21-13(8-20-12)14(6-19)23-11-18(5-15(23)24)9-22(10-18)16(25)26-17(2,3)4;1-5-2(3)4/h5-6,8,14H,7,9-13H2,1-4H3,(H,30,36);3-4,7,13H,5-6,8-12H2,1-2H3;2-3,5,11,24H,4,6-10H2,1H3,(H,26,31);6,12,20H,5,7-11,19H2,1-4H3;1H3/t14-;13-;11-;12-;/m0000./s1
• InChIKey: RVLMCCCRAVTWLQ-JEOWHJTISA-N
• XLogP: 9.53
• TPSA: 397.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 9
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.39
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 159171702) is tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is COC(=O)Cl.COC(=O)N1CC2(CC(=O)N(c3cnn4c3CN(C(=O)Cc3cc(F)c(F)c(F)c3)[C@@H](C)C4)C2)C1.C[C@H]1CN=C(C(=CN)N2CC3(CC2=O)CN(C(=O)OC(C)(C)C)C3)CN1.C[C@H]1Cn2ncc(N3CC4(CC3=O)CN(C(=O)OC(C)(C)C)C4)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC4(CNC4)CC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.

What is the InChIKey of tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is RVLMCCCRAVTWLQ-JEOWHJTISA-N. The full InChI is InChI=1S/C25H29F3N6O4.C23H24F3N5O4.C20H21F3N6O2.C18H29N5O3.C2H3ClO2/c1-14-9-34-19(10-32(14)22(36)30-15-5-16(26)21(28)17(27)6-15)18(8-29-34)33-13-25(7-20(33)35)11-31(12-25)23(37)38-24(2,3)4;1-13-8-31-18(9-29(13)19(32)5-14-3-15(24)21(26)16(25)4-14)17(7-27-31)30-12-23(6-20(30)33)10-28(11-23)22(34)35-2;1-11-6-29-16(15(5-25-29)28-10-20(4-17(28)30)8-24-9-20)7-27(11)19(31)26-12-2-13(21)18(23)14(22)3-12;1-12-7-21-13(8-20-12)14(6-19)23-11-18(5-15(23)24)9-22(10-18)16(25)26-17(2,3)4;1-5-2(3)4/h5-6,8,14H,7,9-13H2,1-4H3,(H,30,36);3-4,7,13H,5-6,8-12H2,1-2H3;2-3,5,11,24H,4,6-10H2,1H3,(H,26,31);6,12,20H,5,7-11,19H2,1-4H3;1H3/t14-;13-;11-;12-;/m0000./s1.

What are the key properties of tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 1918.39 g/mol, XLogP of 9.53, 9 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-[2-amino-1-[(2S)-2-methyl-1,2,3,6-tetrahydropyrazin-5-yl]ethenyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;tert-butyl 6-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;methyl carbonochloridate;methyl 6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate;(6S)-6-methyl-3-(7-oxo-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 159171702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).