2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide

C28H34N6O4 — CID 167271418

IUPAC2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide
SMILESCCc1c(-c2ccc3c(cnn3CCNC(=O)COCCOCCN)c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C28H34N6O4/c1-2-23-24(17-32-28(30)27(23)19-3-6-22(35)7-4-19)20-5-8-25-21(15-20)16-33-34(25)11-10-31-26(36)18-38-14-13-37-12-9-29/h3-8,15-17,35H,2,9-14,18,29H2,1H3,(H2,30,32)(H,31,36)
InChIKeyAQPJGNOYSHVGNG-UHFFFAOYSA-N
MW518.62 g/mol
LogP2.72
Rot. Bonds13

About 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide

2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide (PubChem CID 167271418) has the molecular formula C28H34N6O4 and a molecular weight of 518.62 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide
PubChem CID167271418
Molecular FormulaC28H34N6O4
Molecular Weight518.62 g/mol
Exact Mass518.26
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide
SMILESCCc1c(-c2ccc3c(cnn3CCNC(=O)COCCOCCN)c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C28H34N6O4/c1-2-23-24(17-32-28(30)27(23)19-3-6-22(35)7-4-19)20-5-8-25-21(15-20)16-33-34(25)11-10-31-26(36)18-38-14-13-37-12-9-29/h3-8,15-17,35H,2,9-14,18,29H2,1H3,(H2,30,32)(H,31,36)
InChIKeyAQPJGNOYSHVGNG-UHFFFAOYSA-N
XLogP2.72
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide (CID 167271418) is 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide is CCc1c(-c2ccc3c(cnn3CCNC(=O)COCCOCCN)c2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide?
The InChIKey is AQPJGNOYSHVGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O4/c1-2-23-24(17-32-28(30)27(23)19-3-6-22(35)7-4-19)20-5-8-25-21(15-20)16-33-34(25)11-10-31-26(36)18-38-14-13-37-12-9-29/h3-8,15-17,35H,2,9-14,18,29H2,1H3,(H2,30,32)(H,31,36).
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide?
2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide has a molecular weight of 518.62 g/mol, XLogP of 2.72, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 167271418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).