tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde

C62H79F3N18O13 — CID 158372172

About tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde

tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde (PubChem CID 158372172) has the molecular formula C62H79F3N18O13 and a molecular weight of 1341.42 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde
• PubChem CID: 158372172
• Molecular Formula: C62H79F3N18O13
• Molecular Weight: 1341.42 g/mol
• Exact Mass: 1340.60
• IUPAC Name: tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde
• SMILES: Cc1ccc(-n2nc(N3CCN(CCOCCOCCOCC(=O)O)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.Cc1ccc(-n2nc(N3CCN(CCOCCOCCOCC(=O)OC(C)(C)C)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.O=CC(F)(F)F
• InChI: InChI=1S/C32H43N9O6.C28H35N9O6.C2HF3O/c1-24-6-7-26(34-21-24)41-27(36-31(43)25-22-35-40-9-5-8-33-30(25)40)20-28(37-41)39-12-10-38(11-13-39)14-15-44-16-17-45-18-19-46-23-29(42)47-32(2,3)4;1-21-3-4-23(30-18-21)37-24(32-28(40)22-19-31-36-6-2-5-29-27(22)36)17-25(33-37)35-9-7-34(8-10-35)11-12-41-13-14-42-15-16-43-20-26(38)39;3-2(4,5)1-6/h5-9,20-22H,10-19,23H2,1-4H3,(H,36,43);2-6,17-19H,7-16,20H2,1H3,(H,32,40)(H,38,39);1H
• InChIKey: GUSYRCYZQCFGSY-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 329.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1341.42
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde?

The IUPAC name of tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde (CID 158372172) is tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde is Cc1ccc(-n2nc(N3CCN(CCOCCOCCOCC(=O)O)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.Cc1ccc(-n2nc(N3CCN(CCOCCOCCOCC(=O)OC(C)(C)C)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.O=CC(F)(F)F.

What is the InChIKey of tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde?

The InChIKey is GUSYRCYZQCFGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N9O6.C28H35N9O6.C2HF3O/c1-24-6-7-26(34-21-24)41-27(36-31(43)25-22-35-40-9-5-8-33-30(25)40)20-28(37-41)39-12-10-38(11-13-39)14-15-44-16-17-45-18-19-46-23-29(42)47-32(2,3)4;1-21-3-4-23(30-18-21)37-24(32-28(40)22-19-31-36-6-2-5-29-27(22)36)17-25(33-37)35-9-7-34(8-10-35)11-12-41-13-14-42-15-16-43-20-26(38)39;3-2(4,5)1-6/h5-9,20-22H,10-19,23H2,1-4H3,(H,36,43);2-6,17-19H,7-16,20H2,1H3,(H,32,40)(H,38,39);1H.

What are the key properties of tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde?

tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde has a molecular weight of 1341.42 g/mol, XLogP of 4.26, 30 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158372172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).