tert-butyl 2-[2-[2-[2-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate

C35H52N6O10S — CID 168945836

About tert-butyl 2-[2-[2-[2-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate

tert-butyl 2-[2-[2-[2-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate (PubChem CID 168945836) has the molecular formula C35H52N6O10S and a molecular weight of 748.90 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[2-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

• Compound Name: tert-butyl 2-[2-[2-[2-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
• PubChem CID: 168945836
• Molecular Formula: C35H52N6O10S
• Molecular Weight: 748.90 g/mol
• Exact Mass: 748.35
• IUPAC Name: tert-butyl 2-[2-[2-[2-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
• SMILES: CCS(=O)(=O)Nc1ccc(-c2nn(C(C)(C)C)c(Nc3ccnc(OCCOCCOCCOCCOCC(=O)OC(C)(C)C)c3)c2C(N)=O)cc1
• InChI: InChI=1S/C35H52N6O10S/c1-8-52(44,45)40-26-11-9-25(10-12-26)31-30(32(36)43)33(41(39-31)34(2,3)4)38-27-13-14-37-28(23-27)50-22-21-48-18-17-46-15-16-47-19-20-49-24-29(42)51-35(5,6)7/h9-14,23,40H,8,15-22,24H2,1-7H3,(H2,36,43)(H,37,38)
• InChIKey: UVZZDSALBHEEOR-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 204.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.90
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	3
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-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?

The IUPAC name of tert-butyl 2-[2-[2-[2-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate (CID 168945836) is tert-butyl 2-[2-[2-[2-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate.

What is the SMILES notation for tert-butyl 2-[2-[2-[2-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?

The canonical SMILES for tert-butyl 2-[2-[2-[2-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate is CCS(=O)(=O)Nc1ccc(-c2nn(C(C)(C)C)c(Nc3ccnc(OCCOCCOCCOCCOCC(=O)OC(C)(C)C)c3)c2C(N)=O)cc1.

What is the InChIKey of tert-butyl 2-[2-[2-[2-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?

The InChIKey is UVZZDSALBHEEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52N6O10S/c1-8-52(44,45)40-26-11-9-25(10-12-26)31-30(32(36)43)33(41(39-31)34(2,3)4)38-27-13-14-37-28(23-27)50-22-21-48-18-17-46-15-16-47-19-20-49-24-29(42)51-35(5,6)7/h9-14,23,40H,8,15-22,24H2,1-7H3,(H2,36,43)(H,37,38).

What are the key properties of tert-butyl 2-[2-[2-[2-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?

tert-butyl 2-[2-[2-[2-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 748.90 g/mol, XLogP of 4.09, 22 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-[2-[2-[2-[[4-[[1-tert-butyl-4-carbamoyl-3-[4-(ethylsulfonylamino)phenyl]pyrazol-5-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 168945836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).