5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide

C21H20N8O2 — CID 135887112

IUPAC5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCc5cnn(C)c5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C21H20N8O2/c1-11-18(27-19(24-11)20(30)22-8-13-9-23-29(3)10-13)14-4-5-16-15(6-14)7-17(26-16)21-25-12(2)28-31-21/h4-7,9-10,26H,8H2,1-3H3,(H,22,30)(H,24,27)
InChIKeySOASGAGUGIEPTL-UHFFFAOYSA-N
MW416.45 g/mol
LogP2.89
Rot. Bonds5

About 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide

5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide (PubChem CID 135887112) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide
PubChem CID135887112
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCc5cnn(C)c5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C21H20N8O2/c1-11-18(27-19(24-11)20(30)22-8-13-9-23-29(3)10-13)14-4-5-16-15(6-14)7-17(26-16)21-25-12(2)28-31-21/h4-7,9-10,26H,8H2,1-3H3,(H,22,30)(H,24,27)
InChIKeySOASGAGUGIEPTL-UHFFFAOYSA-N
XLogP2.89
TPSA130.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide (CID 135887112) is 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide is Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5cnn(C)c5)[nH]c4C)ccc3[nH]2)n1.
What is the InChIKey of 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide?
The InChIKey is SOASGAGUGIEPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-11-18(27-19(24-11)20(30)22-8-13-9-23-29(3)10-13)14-4-5-16-15(6-14)7-17(26-16)21-25-12(2)28-31-21/h4-7,9-10,26H,8H2,1-3H3,(H,22,30)(H,24,27).
What are the key properties of 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide?
5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 135887112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).