tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide

C101H115BCl2IN23O6 — CID 160844652

About tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide

tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide (PubChem CID 160844652) has the molecular formula C101H115BCl2IN23O6 and a molecular weight of 1955.81 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide.

Molecular Properties

• Compound Name: tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide
• PubChem CID: 160844652
• Molecular Formula: C101H115BCl2IN23O6
• Molecular Weight: 1955.81 g/mol
• Exact Mass: 1953.79
• IUPAC Name: tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide
• SMILES: CC(C)(C)OC(=O)N[C@@H]1c2ccccc2CC12CCN(c1ncnc3[nH]ncc13)CC2.CC(C)(C)OC(=O)N[C@@H]1c2ccccc2CC12CCN(c1ncnc3c1cnn3-c1ccccc1)CC2.Cl.Clc1nccc2[nH]ncc12.I.N[C@@H]1c2ccccc2CC12CCN(c1ncnc3c1cnn3-c1ccccc1)CC2.N[C@@H]1c2ccccc2CC12CCNCC2.OB(O)c1ccccc1
• InChI: InChI=1S/C29H32N6O2.C24H24N6.C23H28N6O2.C13H18N2.C6H7BO2.C6H4ClN3.ClH.HI/c1-28(2,3)37-27(36)33-24-22-12-8-7-9-20(22)17-29(24)13-15-34(16-14-29)25-23-18-32-35(26(23)31-19-30-25)21-10-5-4-6-11-21;25-21-19-9-5-4-6-17(19)14-24(21)10-12-29(13-11-24)22-20-15-28-30(23(20)27-16-26-22)18-7-2-1-3-8-18;1-22(2,3)31-21(30)27-18-16-7-5-4-6-15(16)12-23(18)8-10-29(11-9-23)20-17-13-26-28-19(17)24-14-25-20;14-12-11-4-2-1-3-10(11)9-13(12)5-7-15-8-6-13;8-7(9)6-4-2-1-3-5-6;7-6-4-3-9-10-5(4)1-2-8-6;;/h4-12,18-19,24H,13-17H2,1-3H3,(H,33,36);1-9,15-16,21H,10-14,25H2;4-7,13-14,18H,8-12H2,1-3H3,(H,27,30)(H,24,25,26,28);1-4,12,15H,5-9,14H2;1-5,8-9H;1-3H,(H,9,10);2*1H/t24-;21-;18-;12-;;;;/m1111..../s1
• InChIKey: OMONMWACEXLCTB-BZXSBHFCSA-N
• XLogP: 16.27
• TPSA: 374.14 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 8
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1955.81
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide?

The IUPAC name of tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide (CID 160844652) is tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide.

What is the SMILES notation for tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide?

The canonical SMILES for tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide is CC(C)(C)OC(=O)N[C@@H]1c2ccccc2CC12CCN(c1ncnc3[nH]ncc13)CC2.CC(C)(C)OC(=O)N[C@@H]1c2ccccc2CC12CCN(c1ncnc3c1cnn3-c1ccccc1)CC2.Cl.Clc1nccc2[nH]ncc12.I.N[C@@H]1c2ccccc2CC12CCN(c1ncnc3c1cnn3-c1ccccc1)CC2.N[C@@H]1c2ccccc2CC12CCNCC2.OB(O)c1ccccc1.

What is the InChIKey of tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide?

The InChIKey is OMONMWACEXLCTB-BZXSBHFCSA-N. The full InChI is InChI=1S/C29H32N6O2.C24H24N6.C23H28N6O2.C13H18N2.C6H7BO2.C6H4ClN3.ClH.HI/c1-28(2,3)37-27(36)33-24-22-12-8-7-9-20(22)17-29(24)13-15-34(16-14-29)25-23-18-32-35(26(23)31-19-30-25)21-10-5-4-6-11-21;25-21-19-9-5-4-6-17(19)14-24(21)10-12-29(13-11-24)22-20-15-28-30(23(20)27-16-26-22)18-7-2-1-3-8-18;1-22(2,3)31-21(30)27-18-16-7-5-4-6-15(16)12-23(18)8-10-29(11-9-23)20-17-13-26-28-19(17)24-14-25-20;14-12-11-4-2-1-3-10(11)9-13(12)5-7-15-8-6-13;8-7(9)6-4-2-1-3-5-6;7-6-4-3-9-10-5(4)1-2-8-6;;/h4-12,18-19,24H,13-17H2,1-3H3,(H,33,36);1-9,15-16,21H,10-14,25H2;4-7,13-14,18H,8-12H2,1-3H3,(H,27,30)(H,24,25,26,28);1-4,12,15H,5-9,14H2;1-5,8-9H;1-3H,(H,9,10);2*1H/t24-;21-;18-;12-;;;;/m1111..../s1.

What are the key properties of tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide?

tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide has a molecular weight of 1955.81 g/mol, XLogP of 16.27, 8 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;4-chloro-1H-pyrazolo[4,5-c]pyridine;phenylboronic acid;(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride;hydroiodide is sourced from PubChem (CID 160844652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).