N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid

C71H96Cl2F3N15O10S2Si2 — CID 159572585

About N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid

N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 159572585) has the molecular formula C71H96Cl2F3N15O10S2Si2 and a molecular weight of 1567.85 g/mol. Its IUPAC name is N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid
• PubChem CID: 159572585
• Molecular Formula: C71H96Cl2F3N15O10S2Si2
• Molecular Weight: 1567.85 g/mol
• Exact Mass: 1565.58
• IUPAC Name: N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid
• SMILES: C[C@H]1CCC[C@H]1C#N.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1C[C@@H](C#N)[C@@H](O[Si](C)(C)C(C)(C)C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1C[C@H](C#N)[C@H](O[Si](C)(C)C(C)(C)C)C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/2C31H42ClN7O4SSi.C7H11N.C2HF3O2/c2*1-20-17-39-28(34-29(20)37-18-21(16-33)27(19-37)43-45(6,7)31(2,3)4)15-25(35-39)26-10-8-9-13-38(26)30(40)23-14-22(32)11-12-24(23)36-44(5,41)42;1-6-3-2-4-7(6)5-8;3-2(4,5)1(6)7/h2*11-12,14-15,17,21,26-27,36H,8-10,13,18-19H2,1-7H3;6-7H,2-4H2,1H3;(H,6,7)/t21-,26+,27+;21-,26-,27+;6-,7-;/m100./s1
• InChIKey: OZKNRNCLXSJDHG-VAPSWHLCSA-N
• XLogP: 14.14
• TPSA: 326.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1567.85
LogP ≤ 5	14.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid (CID 159572585) is N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid is C[C@H]1CCC[C@H]1C#N.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1C[C@@H](C#N)[C@@H](O[Si](C)(C)C(C)(C)C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1C[C@H](C#N)[C@H](O[Si](C)(C)C(C)(C)C)C1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid?

The InChIKey is OZKNRNCLXSJDHG-VAPSWHLCSA-N. The full InChI is InChI=1S/2C31H42ClN7O4SSi.C7H11N.C2HF3O2/c2*1-20-17-39-28(34-29(20)37-18-21(16-33)27(19-37)43-45(6,7)31(2,3)4)15-25(35-39)26-10-8-9-13-38(26)30(40)23-14-22(32)11-12-24(23)36-44(5,41)42;1-6-3-2-4-7(6)5-8;3-2(4,5)1(6)7/h2*11-12,14-15,17,21,26-27,36H,8-10,13,18-19H2,1-7H3;6-7H,2-4H2,1H3;(H,6,7)/t21-,26+,27+;21-,26-,27+;6-,7-;/m100./s1.

What are the key properties of N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid?

N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 1567.85 g/mol, XLogP of 14.14, 14 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2S)-2-[5-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;trans-(1R,2S)-2-methylcyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159572585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).