(2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid

C55H74N16O7 — CID 158508536

About (2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid

(2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid (PubChem CID 158508536) has the molecular formula C55H74N16O7 and a molecular weight of 1071.30 g/mol. Its IUPAC name is (2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid.

Molecular Properties

• Compound Name: (2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid
• PubChem CID: 158508536
• Molecular Formula: C55H74N16O7
• Molecular Weight: 1071.30 g/mol
• Exact Mass: 1070.59
• IUPAC Name: (2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid
• SMILES: C[C@@H](C(N)=O)N(C)c1n[nH]c2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)cnc12.C[C@@H](C(N)=O)N(C)c1nn(C2CCCCO2)c2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4NC(=O)OC(C)(C)C)cnc12.O=CO
• InChI: InChI=1S/C32H44N8O4.C22H28N8O.CH2O2/c1-20(27(33)41)38(5)29-25-28(40(37-29)24-12-8-9-17-43-24)35-23(19-34-25)39-15-13-32(14-16-39)18-21-10-6-7-11-22(21)26(32)36-30(42)44-31(2,3)4;1-13(19(24)31)29(2)21-17-20(27-28-21)26-16(12-25-17)30-9-7-22(8-10-30)11-14-5-3-4-6-15(14)18(22)23;2-1-3/h6-7,10-11,19-20,24,26H,8-9,12-18H2,1-5H3,(H2,33,41)(H,36,42);3-6,12-13,18H,7-11,23H2,1-2H3,(H2,24,31)(H,26,27,28);1H,(H,2,3)/t20-,24?,26+;13-,18+;/m00./s1
• InChIKey: HKTLEPDNGOMUJG-IYSOLRNSSA-N
• XLogP: 5.45
• TPSA: 308.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1071.30
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid?

The IUPAC name of (2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid (CID 158508536) is (2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid.

What is the SMILES notation for (2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid?

The canonical SMILES for (2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid is C[C@@H](C(N)=O)N(C)c1n[nH]c2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)cnc12.C[C@@H](C(N)=O)N(C)c1nn(C2CCCCO2)c2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4NC(=O)OC(C)(C)C)cnc12.O=CO.

What is the InChIKey of (2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid?

The InChIKey is HKTLEPDNGOMUJG-IYSOLRNSSA-N. The full InChI is InChI=1S/C32H44N8O4.C22H28N8O.CH2O2/c1-20(27(33)41)38(5)29-25-28(40(37-29)24-12-8-9-17-43-24)35-23(19-34-25)39-15-13-32(14-16-39)18-21-10-6-7-11-22(21)26(32)36-30(42)44-31(2,3)4;1-13(19(24)31)29(2)21-17-20(27-28-21)26-16(12-25-17)30-9-7-22(8-10-30)11-14-5-3-4-6-15(14)18(22)23;2-1-3/h6-7,10-11,19-20,24,26H,8-9,12-18H2,1-5H3,(H2,33,41)(H,36,42);3-6,12-13,18H,7-11,23H2,1-2H3,(H2,24,31)(H,26,27,28);1H,(H,2,3)/t20-,24?,26+;13-,18+;/m00./s1.

What are the key properties of (2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid?

(2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid has a molecular weight of 1071.30 g/mol, XLogP of 5.45, 10 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-methylamino]propanamide;tert-butyl N-[(1S)-1'-[3-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid is sourced from PubChem (CID 158508536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).