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

C21H20N8O2 — CID 135887173

IUPAC1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccn(C)n5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C21H20N8O2/c1-12-23-21(31-27-12)18-9-14-8-13(4-5-16(14)24-18)19-10-17(26-29(19)3)20(30)22-11-15-6-7-28(2)25-15/h4-10,24H,11H2,1-3H3,(H,22,30)
InChIKeyJRJABBAFCSKHSX-UHFFFAOYSA-N
MW416.45 g/mol
LogP2.59
Rot. Bonds5

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

1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 135887173) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID135887173
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccn(C)n5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C21H20N8O2/c1-12-23-21(31-27-12)18-9-14-8-13(4-5-16(14)24-18)19-10-17(26-29(19)3)20(30)22-11-15-6-7-28(2)25-15/h4-10,24H,11H2,1-3H3,(H,22,30)
InChIKeyJRJABBAFCSKHSX-UHFFFAOYSA-N
XLogP2.59
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (CID 135887173) is 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccn(C)n5)nn4C)ccc3[nH]2)n1.
What is the InChIKey of 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is JRJABBAFCSKHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-12-23-21(31-27-12)18-9-14-8-13(4-5-16(14)24-18)19-10-17(26-29(19)3)20(30)22-11-15-6-7-28(2)25-15/h4-10,24H,11H2,1-3H3,(H,22,30).
What are the key properties of 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 135887173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).