tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium

C100H116F3IN22O6U — CID 157304270

About tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium

tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium (PubChem CID 157304270) has the molecular formula C100H116F3IN22O6U and a molecular weight of 2144.10 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium.

Molecular Properties

• Compound Name: tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium
• PubChem CID: 157304270
• Molecular Formula: C100H116F3IN22O6U
• Molecular Weight: 2144.10 g/mol
• Exact Mass: 2142.90
• IUPAC Name: tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium
• SMILES: CC(C)(C)OC(=O)N[C@@H]1c2cccc(F)c2CC12CCN(c1cnc3c(I)nn(C4CCCCO4)c3n1)CC2.CC(C)(C)OC(=O)N[C@@H]1c2cccc(F)c2CC12CCN(c1cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n1)CC2.N[C@@H]1c2cccc(F)c2CC12CCN(c1cnc3c(n1)CN=C3N1CCCc3ncccc31)CC2.[U].c1cnc2c(c1)CCCC2
• InChI: InChI=1S/C36H43FN8O3.C28H34FIN6O3.C27H28FN7.C9H11N.U/c1-35(2,3)48-34(46)41-31-23-9-6-10-25(37)24(23)21-36(31)14-18-43(19-15-36)28-22-39-30-32(40-28)45(29-13-4-5-20-47-29)42-33(30)44-17-8-11-26-27(44)12-7-16-38-26;1-27(2,3)39-26(37)33-23-17-7-6-8-19(29)18(17)15-28(23)10-12-35(13-11-28)20-16-31-22-24(30)34-36(25(22)32-20)21-9-4-5-14-38-21;28-19-5-1-4-17-18(19)14-27(25(17)29)8-12-34(13-9-27)23-16-31-24-21(33-23)15-32-26(24)35-11-3-6-20-22(35)7-2-10-30-20;1-2-6-9-8(4-1)5-3-7-10-9;/h6-7,9-10,12,16,22,29,31H,4-5,8,11,13-15,17-21H2,1-3H3,(H,41,46);6-8,16,21,23H,4-5,9-15H2,1-3H3,(H,33,37);1-2,4-5,7,10,16,25H,3,6,8-9,11-15,29H2;3,5,7H,1-2,4,6H2;/t29?,31-;21?,23-;25-;;/m111../s1
• InChIKey: BCGOPMKBDQNMGO-FXZDJEDDSA-N
• XLogP: 17.76
• TPSA: 301.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 8
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2144.10
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium?

The IUPAC name of tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium (CID 157304270) is tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium.

What is the SMILES notation for tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium?

The canonical SMILES for tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium is CC(C)(C)OC(=O)N[C@@H]1c2cccc(F)c2CC12CCN(c1cnc3c(I)nn(C4CCCCO4)c3n1)CC2.CC(C)(C)OC(=O)N[C@@H]1c2cccc(F)c2CC12CCN(c1cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n1)CC2.N[C@@H]1c2cccc(F)c2CC12CCN(c1cnc3c(n1)CN=C3N1CCCc3ncccc31)CC2.[U].c1cnc2c(c1)CCCC2.

What is the InChIKey of tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium?

The InChIKey is BCGOPMKBDQNMGO-FXZDJEDDSA-N. The full InChI is InChI=1S/C36H43FN8O3.C28H34FIN6O3.C27H28FN7.C9H11N.U/c1-35(2,3)48-34(46)41-31-23-9-6-10-25(37)24(23)21-36(31)14-18-43(19-15-36)28-22-39-30-32(40-28)45(29-13-4-5-20-47-29)42-33(30)44-17-8-11-26-27(44)12-7-16-38-26;1-27(2,3)39-26(37)33-23-17-7-6-8-19(29)18(17)15-28(23)10-12-35(13-11-28)20-16-31-22-24(30)34-36(25(22)32-20)21-9-4-5-14-38-21;28-19-5-1-4-17-18(19)14-27(25(17)29)8-12-34(13-9-27)23-16-31-24-21(33-23)15-32-26(24)35-11-3-6-20-22(35)7-2-10-30-20;1-2-6-9-8(4-1)5-3-7-10-9;/h6-7,9-10,12,16,22,29,31H,4-5,8,11,13-15,17-21H2,1-3H3,(H,41,46);6-8,16,21,23H,4-5,9-15H2,1-3H3,(H,33,37);1-2,4-5,7,10,16,25H,3,6,8-9,11-15,29H2;3,5,7H,1-2,4,6H2;/t29?,31-;21?,23-;25-;;/m111../s1.

What are the key properties of tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium?

tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium has a molecular weight of 2144.10 g/mol, XLogP of 17.76, 8 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-4-fluoro-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;5,6,7,8-tetrahydroquinoline;uranium is sourced from PubChem (CID 157304270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).