N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide

C26H23N7O2 — CID 117088263

IUPACN-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
SMILESO=C(Cc1cn(-c2ccc(Nc3cnccn3)nn2)c2ccccc12)NCCOc1ccccc1
InChIInChI=1S/C26H23N7O2/c34-26(29-14-15-35-20-6-2-1-3-7-20)16-19-18-33(22-9-5-4-8-21(19)22)25-11-10-23(31-32-25)30-24-17-27-12-13-28-24/h1-13,17-18H,14-16H2,(H,29,34)(H,28,30,31)
InChIKeyBALZEAJVLKRJEM-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.69
Rot. Bonds9

About N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide

N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide (PubChem CID 117088263) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
PubChem CID117088263
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC NameN-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
SMILESO=C(Cc1cn(-c2ccc(Nc3cnccn3)nn2)c2ccccc12)NCCOc1ccccc1
InChIInChI=1S/C26H23N7O2/c34-26(29-14-15-35-20-6-2-1-3-7-20)16-19-18-33(22-9-5-4-8-21(19)22)25-11-10-23(31-32-25)30-24-17-27-12-13-28-24/h1-13,17-18H,14-16H2,(H,29,34)(H,28,30,31)
InChIKeyBALZEAJVLKRJEM-UHFFFAOYSA-N
XLogP3.69
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[6-(isoquinolin-1-ylamino)pyridazin-3-yl]indol-3-yl]-N-(2-phenoxyethyl)acetamide
CID 117089055
2-[1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]indol-3-yl]-N-(2-phenoxyethyl)acetamide
CID 117093374
2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-(2-phenoxyethyl)acetamide
CID 117086977
2-[1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyridazin-3-yl]indol-3-yl]-N-(2-phenoxyethyl)acetamide
CID 117087767
N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]indol-3-yl]acetamide
CID 117086666
2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide
CID 117085115
2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288924
N-[2-(4-hydroxyphenyl)ethyl]-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
CID 117088753
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide
CID 117088851
2-[1-[6-[(2-methylpyrazol-3-yl)amino]pyridazin-3-yl]indol-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 117093697
N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide
CID 117092864
N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
CID 117086468

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide?
The IUPAC name of N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide (CID 117088263) is N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide is O=C(Cc1cn(-c2ccc(Nc3cnccn3)nn2)c2ccccc12)NCCOc1ccccc1.
What is the InChIKey of N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide?
The InChIKey is BALZEAJVLKRJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c34-26(29-14-15-35-20-6-2-1-3-7-20)16-19-18-33(22-9-5-4-8-21(19)22)25-11-10-23(31-32-25)30-24-17-27-12-13-28-24/h1-13,17-18H,14-16H2,(H,29,34)(H,28,30,31).
What are the key properties of N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide?
N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide has a molecular weight of 465.52 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide is sourced from PubChem (CID 117088263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).