tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate

C34H44N6O6 — CID 166554857

About tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate

tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate (PubChem CID 166554857) has the molecular formula C34H44N6O6 and a molecular weight of 632.76 g/mol. Its IUPAC name is tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate
• PubChem CID: 166554857
• Molecular Formula: C34H44N6O6
• Molecular Weight: 632.76 g/mol
• Exact Mass: 632.33
• IUPAC Name: tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate
• SMILES: CCc1c(-c2ccc3c(cnn3CCNC(=O)COCCOCCN)c2)cnc(CNC(=O)OC(C)(C)C)c1-c1ccc(O)cc1
• InChI: InChI=1S/C34H44N6O6/c1-5-27-28(20-37-29(21-38-33(43)46-34(2,3)4)32(27)23-6-9-26(41)10-7-23)24-8-11-30-25(18-24)19-39-40(30)14-13-36-31(42)22-45-17-16-44-15-12-35/h6-11,18-20,41H,5,12-17,21-22,35H2,1-4H3,(H,36,42)(H,38,43)
• InChIKey: WQQVOIMAJTVXLX-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 162.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	632.76
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate?

The IUPAC name of tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate (CID 166554857) is tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate?

The canonical SMILES for tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate is CCc1c(-c2ccc3c(cnn3CCNC(=O)COCCOCCN)c2)cnc(CNC(=O)OC(C)(C)C)c1-c1ccc(O)cc1.

What is the InChIKey of tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate?

The InChIKey is WQQVOIMAJTVXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N6O6/c1-5-27-28(20-37-29(21-38-33(43)46-34(2,3)4)32(27)23-6-9-26(41)10-7-23)24-8-11-30-25(18-24)19-39-40(30)14-13-36-31(42)22-45-17-16-44-15-12-35/h6-11,18-20,41H,5,12-17,21-22,35H2,1-4H3,(H,36,42)(H,38,43).

What are the key properties of tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate?

tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 632.76 g/mol, XLogP of 4.17, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[5-[1-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 166554857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).