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

C23H24N8O2 — CID 135887171

IUPAC1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5c(C)nn(C)c5C)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C23H24N8O2/c1-12-17(13(2)30(4)27-12)11-24-22(32)19-10-21(31(5)28-19)15-6-7-18-16(8-15)9-20(26-18)23-25-14(3)29-33-23/h6-10,26H,11H2,1-5H3,(H,24,32)
InChIKeyZZVZQQCGFNUAEL-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.21
Rot. Bonds5

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

1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 135887171) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1,3,5-trimethylpyrazol-4-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-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID135887171
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5c(C)nn(C)c5C)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C23H24N8O2/c1-12-17(13(2)30(4)27-12)11-24-22(32)19-10-21(31(5)28-19)15-6-7-18-16(8-15)9-20(26-18)23-25-14(3)29-33-23/h6-10,26H,11H2,1-5H3,(H,24,32)
InChIKeyZZVZQQCGFNUAEL-UHFFFAOYSA-N
XLogP3.21
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.21
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-[(1,3,5-trimethylpyrazol-4-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-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (CID 135887171) is 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1,3,5-trimethylpyrazol-4-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-[(1,3,5-trimethylpyrazol-4-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-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5c(C)nn(C)c5C)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-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is ZZVZQQCGFNUAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-12-17(13(2)30(4)27-12)11-24-22(32)19-10-21(31(5)28-19)15-6-7-18-16(8-15)9-20(26-18)23-25-14(3)29-33-23/h6-10,26H,11H2,1-5H3,(H,24,32).
What are the key properties of 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.21, 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-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 135887171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).