potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate

C81H104IKN18O10 — CID 159325126

About potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate

potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate (PubChem CID 159325126) has the molecular formula C81H104IKN18O10 and a molecular weight of 1655.84 g/mol. Its IUPAC name is potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate.

Molecular Properties

• Compound Name: potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate
• PubChem CID: 159325126
• Molecular Formula: C81H104IKN18O10
• Molecular Weight: 1655.84 g/mol
• Exact Mass: 1654.69
• IUPAC Name: potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate
• SMILES: CC(=O)OCc1nc2c(I)nn(C3CCCCO3)c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2NC(=O)OC(C)(C)C.Cc1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)c(CO)nc12.Cc1nn(C2CCCCO2)c2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4NC(=O)OC(C)(C)C)c(CO)nc12.[H-].[K+]
• InChI: InChI=1S/C31H39IN6O5.C30H40N6O4.C20H24N6O.K.H/c1-19(39)42-18-22-27(35-28-24(33-22)26(32)36-38(28)23-11-7-8-16-41-23)37-14-12-31(13-15-37)17-20-9-5-6-10-21(20)25(31)34-29(40)43-30(2,3)4;1-19-24-27(36(34-19)23-11-7-8-16-39-23)33-26(22(18-37)31-24)35-14-12-30(13-15-35)17-20-9-5-6-10-21(20)25(30)32-28(38)40-29(2,3)4;1-12-16-18(25-24-12)23-19(15(11-27)22-16)26-8-6-20(7-9-26)10-13-4-2-3-5-14(13)17(20)21;;/h5-6,9-10,23,25H,7-8,11-18H2,1-4H3,(H,34,40);5-6,9-10,23,25,37H,7-8,11-18H2,1-4H3,(H,32,38);2-5,17,27H,6-11,21H2,1H3,(H,23,24,25);;/q;;;+1;-1/t2*23?,25-;17-;;/m111../s1
• InChIKey: AKTRXNUNHDHUSQ-QEWHJMCISA-N
• XLogP: 9.45
• TPSA: 339.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 11
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1655.84
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate?

The IUPAC name of potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate (CID 159325126) is potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate.

What is the SMILES notation for potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate?

The canonical SMILES for potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate is CC(=O)OCc1nc2c(I)nn(C3CCCCO3)c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2NC(=O)OC(C)(C)C.Cc1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)c(CO)nc12.Cc1nn(C2CCCCO2)c2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4NC(=O)OC(C)(C)C)c(CO)nc12.[H-].[K+].

What is the InChIKey of potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate?

The InChIKey is AKTRXNUNHDHUSQ-QEWHJMCISA-N. The full InChI is InChI=1S/C31H39IN6O5.C30H40N6O4.C20H24N6O.K.H/c1-19(39)42-18-22-27(35-28-24(33-22)26(32)36-38(28)23-11-7-8-16-41-23)37-14-12-31(13-15-37)17-20-9-5-6-10-21(20)25(31)34-29(40)43-30(2,3)4;1-19-24-27(36(34-19)23-11-7-8-16-39-23)33-26(22(18-37)31-24)35-14-12-30(13-15-35)17-20-9-5-6-10-21(20)25(30)32-28(38)40-29(2,3)4;1-12-16-18(25-24-12)23-19(15(11-27)22-16)26-8-6-20(7-9-26)10-13-4-2-3-5-14(13)17(20)21;;/h5-6,9-10,23,25H,7-8,11-18H2,1-4H3,(H,34,40);5-6,9-10,23,25,37H,7-8,11-18H2,1-4H3,(H,32,38);2-5,17,27H,6-11,21H2,1H3,(H,23,24,25);;/q;;;+1;-1/t2*23?,25-;17-;;/m111../s1.

What are the key properties of potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate?

potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate has a molecular weight of 1655.84 g/mol, XLogP of 9.45, 11 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl N-[(1S)-1'-[5-(hydroxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydride;[3-iodo-6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-5-yl]methyl acetate is sourced from PubChem (CID 159325126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).