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

C22H19N7O2 — CID 135887182

IUPAC5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccncc5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C22H19N7O2/c1-12-19(28-20(25-12)21(30)24-11-14-5-7-23-8-6-14)15-3-4-17-16(9-15)10-18(27-17)22-26-13(2)29-31-22/h3-10,27H,11H2,1-2H3,(H,24,30)(H,25,28)
InChIKeyACYHIBQTZOUDDX-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.55
Rot. Bonds5

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

5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide (PubChem CID 135887182) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide
PubChem CID135887182
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC Name5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccncc5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C22H19N7O2/c1-12-19(28-20(25-12)21(30)24-11-14-5-7-23-8-6-14)15-3-4-17-16(9-15)10-18(27-17)22-26-13(2)29-31-22/h3-10,27H,11H2,1-2H3,(H,24,30)(H,25,28)
InChIKeyACYHIBQTZOUDDX-UHFFFAOYSA-N
XLogP3.55
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.55
H-Bond Donors ≤ 53
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-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide (CID 135887182) is 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide is Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccncc5)[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-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide?
The InChIKey is ACYHIBQTZOUDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c1-12-19(28-20(25-12)21(30)24-11-14-5-7-23-8-6-14)15-3-4-17-16(9-15)10-18(27-17)22-26-13(2)29-31-22/h3-10,27H,11H2,1-2H3,(H,24,30)(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-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide?
5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 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-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 135887182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).