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;ethane

C34H49N9O6 — CID 142597176

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;ethane

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;ethane (PubChem CID 142597176) has the molecular formula C34H49N9O6 and a molecular weight of 679.82 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;ethane.

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;ethane
• PubChem CID: 142597176
• Molecular Formula: C34H49N9O6
• Molecular Weight: 679.82 g/mol
• Exact Mass: 679.38
• 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;ethane
• SMILES: CC.Cc1ccc(-n2nc(N3CCN(CCOCCOCCOCC(=O)OC(C)(C)C)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
• InChI: InChI=1S/C32H43N9O6.C2H6/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;1-2/h5-9,20-22H,10-19,23H2,1-4H3,(H,36,43);1-2H3
• InChIKey: LTWJYHZGLDWDEZ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 150.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.82
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'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;ethane?

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;ethane (CID 142597176) 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;ethane.

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;ethane?

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;ethane is CC.Cc1ccc(-n2nc(N3CCN(CCOCCOCCOCC(=O)OC(C)(C)C)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.

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;ethane?

The InChIKey is LTWJYHZGLDWDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N9O6.C2H6/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;1-2/h5-9,20-22H,10-19,23H2,1-4H3,(H,36,43);1-2H3.

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;ethane?

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;ethane has a molecular weight of 679.82 g/mol, XLogP of 3.41, 15 rotatable bonds, 1 hydrogen bond donors, and 14 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;ethane is sourced from PubChem (CID 142597176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).