1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride

C136H160F2IN29O10S — CID 157307233

About 1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride

1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride (PubChem CID 157307233) has the molecular formula C136H160F2IN29O10S and a molecular weight of 2557.94 g/mol. Its IUPAC name is 1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride.

Molecular Properties

• Compound Name: 1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride
• PubChem CID: 157307233
• Molecular Formula: C136H160F2IN29O10S
• Molecular Weight: 2557.94 g/mol
• Exact Mass: 2556.16
• IUPAC Name: 1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride
• SMILES: CC(=O)N1CCCc2ccccc21.CC(=O)N1CCN(C2=NCc3nc(N4CCC5(CC4)Cc4ccccc4C5N)cnc32)c2ccccc21.CC(=O)N1CCN(C2=NCc3nc(N4CCC5(CC4)Cc4ccccc4[C@@H]5N)cnc32)c2ccccc21.CC(=O)N1CCN(c2nn(C3CCCCO3)c3nc(N4CCC5(CC4)Cc4ccccc4C5NC(=O)OC(C)(C)C)cnc23)c2ccccc21.CC(C)(C)OC(=O)NC1c2ccccc2CC12CCN(c1cnc3c(I)nn(C4CCCCO4)c3n1)CC2.CSF.F
• InChI: InChI=1S/C38H46N8O4.2C29H31N7O.C28H35IN6O3.C11H13NO.CH3FS.FH/c1-25(47)44-20-21-45(29-14-8-7-13-28(29)44)35-32-34(46(42-35)31-15-9-10-22-49-31)40-30(24-39-32)43-18-16-38(17-19-43)23-26-11-5-6-12-27(26)33(38)41-36(48)50-37(2,3)4;2*1-19(37)35-14-15-36(24-9-5-4-8-23(24)35)28-26-22(17-32-28)33-25(18-31-26)34-12-10-29(11-13-34)16-20-6-2-3-7-21(20)27(29)30;1-27(2,3)38-26(36)32-23-19-9-5-4-8-18(19)16-28(23)11-13-34(14-12-28)20-17-30-22-24(29)33-35(25(22)31-20)21-10-6-7-15-37-21;1-9(13)12-8-4-6-10-5-2-3-7-11(10)12;1-3-2;/h5-8,11-14,24,31,33H,9-10,15-23H2,1-4H3,(H,41,48);2*2-9,18,27H,10-17,30H2,1H3;4-5,8-9,17,21,23H,6-7,10-16H2,1-3H3,(H,32,36);2-3,5,7H,4,6,8H2,1H3;1H3;1H/t;27-;;;;;/m.0...../s1
• InChIKey: BCPWYHGLGWRLTA-AAWGZEEFSA-N
• XLogP: 22.25
• TPSA: 414.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 9
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2557.94
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride?

The IUPAC name of 1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride (CID 157307233) is 1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride.

What is the SMILES notation for 1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride?

The canonical SMILES for 1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride is CC(=O)N1CCCc2ccccc21.CC(=O)N1CCN(C2=NCc3nc(N4CCC5(CC4)Cc4ccccc4C5N)cnc32)c2ccccc21.CC(=O)N1CCN(C2=NCc3nc(N4CCC5(CC4)Cc4ccccc4[C@@H]5N)cnc32)c2ccccc21.CC(=O)N1CCN(c2nn(C3CCCCO3)c3nc(N4CCC5(CC4)Cc4ccccc4C5NC(=O)OC(C)(C)C)cnc23)c2ccccc21.CC(C)(C)OC(=O)NC1c2ccccc2CC12CCN(c1cnc3c(I)nn(C4CCCCO4)c3n1)CC2.CSF.F.

What is the InChIKey of 1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride?

The InChIKey is BCPWYHGLGWRLTA-AAWGZEEFSA-N. The full InChI is InChI=1S/C38H46N8O4.2C29H31N7O.C28H35IN6O3.C11H13NO.CH3FS.FH/c1-25(47)44-20-21-45(29-14-8-7-13-28(29)44)35-32-34(46(42-35)31-15-9-10-22-49-31)40-30(24-39-32)43-18-16-38(17-19-43)23-26-11-5-6-12-27(26)33(38)41-36(48)50-37(2,3)4;2*1-19(37)35-14-15-36(24-9-5-4-8-23(24)35)28-26-22(17-32-28)33-25(18-31-26)34-12-10-29(11-13-34)16-20-6-2-3-7-21(20)27(29)30;1-27(2,3)38-26(36)32-23-19-9-5-4-8-18(19)16-28(23)11-13-34(14-12-28)20-17-30-22-24(29)33-35(25(22)31-20)21-10-6-7-15-37-21;1-9(13)12-8-4-6-10-5-2-3-7-11(10)12;1-3-2;/h5-8,11-14,24,31,33H,9-10,15-23H2,1-4H3,(H,41,48);2*2-9,18,27H,10-17,30H2,1H3;4-5,8-9,17,21,23H,6-7,10-16H2,1-3H3,(H,32,36);2-3,5,7H,4,6,8H2,1H3;1H3;1H/t;27-;;;;;/m.0...../s1.

What are the key properties of 1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride?

1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride has a molecular weight of 2557.94 g/mol, XLogP of 22.25, 9 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;1-[4-[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroquinoxalin-1-yl]ethanone;tert-butyl N-[1'-[3-(4-acetyl-2,3-dihydroquinoxalin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl thiohypofluorite;hydrofluoride is sourced from PubChem (CID 157307233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).