5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-imidazole-2-carboxamide

C22H19N7O3 — CID 135887184

IUPAC5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccc(=O)[nH]c5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C22H19N7O3/c1-11-19(28-20(25-11)21(31)24-10-13-3-6-18(30)23-9-13)14-4-5-16-15(7-14)8-17(27-16)22-26-12(2)29-32-22/h3-9,27H,10H2,1-2H3,(H,23,30)(H,24,31)(H,25,28)
InChIKeyGLHZGJCELNGIJL-UHFFFAOYSA-N
MW429.44 g/mol
LogP2.84
Rot. Bonds5

About 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-imidazole-2-carboxamide

5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-imidazole-2-carboxamide (PubChem CID 135887184) has the molecular formula C22H19N7O3 and a molecular weight of 429.44 g/mol. Its IUPAC name is 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(6-oxo-1H-pyridin-3-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-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-imidazole-2-carboxamide
PubChem CID135887184
Molecular FormulaC22H19N7O3
Molecular Weight429.44 g/mol
Exact Mass429.15
IUPAC Name5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccc(=O)[nH]c5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C22H19N7O3/c1-11-19(28-20(25-11)21(31)24-10-13-3-6-18(30)23-9-13)14-4-5-16-15(7-14)8-17(27-16)22-26-12(2)29-32-22/h3-9,27H,10H2,1-2H3,(H,23,30)(H,24,31)(H,25,28)
InChIKeyGLHZGJCELNGIJL-UHFFFAOYSA-N
XLogP2.84
TPSA145.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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-[(6-oxo-1H-pyridin-3-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-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-imidazole-2-carboxamide (CID 135887184) is 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(6-oxo-1H-pyridin-3-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-[(6-oxo-1H-pyridin-3-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-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-imidazole-2-carboxamide is Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccc(=O)[nH]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-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-imidazole-2-carboxamide?
The InChIKey is GLHZGJCELNGIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O3/c1-11-19(28-20(25-11)21(31)24-10-13-3-6-18(30)23-9-13)14-4-5-16-15(7-14)8-17(27-16)22-26-12(2)29-32-22/h3-9,27H,10H2,1-2H3,(H,23,30)(H,24,31)(H,25,28).
What are the key properties of 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-imidazole-2-carboxamide?
5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-imidazole-2-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 4 hydrogen bond donors, and 6 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-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 135887184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).