ethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate

C26H28N8O4 — CID 138525802

IUPACethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C(C)(C)C(C)n2cc(-c3nc4nccc(-c5cccc(N)c5CO)c4[nH]3)cn2)n1
InChIInChI=1S/C26H28N8O4/c1-5-37-24(36)23-32-25(38-33-23)26(3,4)14(2)34-12-15(11-29-34)21-30-20-17(9-10-28-22(20)31-21)16-7-6-8-19(27)18(16)13-35/h6-12,14,35H,5,13,27H2,1-4H3,(H,28,30,31)
InChIKeySWTGHWHLCGUGEW-UHFFFAOYSA-N
MW516.56 g/mol
LogP3.66
Rot. Bonds8

About ethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate

ethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate (PubChem CID 138525802) has the molecular formula C26H28N8O4 and a molecular weight of 516.56 g/mol. Its IUPAC name is ethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate
PubChem CID138525802
Molecular FormulaC26H28N8O4
Molecular Weight516.56 g/mol
Exact Mass516.22
IUPAC Nameethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C(C)(C)C(C)n2cc(-c3nc4nccc(-c5cccc(N)c5CO)c4[nH]3)cn2)n1
InChIInChI=1S/C26H28N8O4/c1-5-37-24(36)23-32-25(38-33-23)26(3,4)14(2)34-12-15(11-29-34)21-30-20-17(9-10-28-22(20)31-21)16-7-6-8-19(27)18(16)13-35/h6-12,14,35H,5,13,27H2,1-4H3,(H,28,30,31)
InChIKeySWTGHWHLCGUGEW-UHFFFAOYSA-N
XLogP3.66
TPSA170.86 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.56
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze ethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate (CID 138525802) is ethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(C(C)(C)C(C)n2cc(-c3nc4nccc(-c5cccc(N)c5CO)c4[nH]3)cn2)n1.
What is the InChIKey of ethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is SWTGHWHLCGUGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O4/c1-5-37-24(36)23-32-25(38-33-23)26(3,4)14(2)34-12-15(11-29-34)21-30-20-17(9-10-28-22(20)31-21)16-7-6-8-19(27)18(16)13-35/h6-12,14,35H,5,13,27H2,1-4H3,(H,28,30,31).
What are the key properties of ethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 516.56 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-methylbutan-2-yl]-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 138525802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).