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

C22H19N7O2 — CID 135887207

IUPAC1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccncc5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C22H19N7O2/c1-13-25-22(31-28-13)19-10-16-9-15(3-4-17(16)26-19)20-11-18(27-29(20)2)21(30)24-12-14-5-7-23-8-6-14/h3-11,26H,12H2,1-2H3,(H,24,30)
InChIKeyYZBGNEFRYURCJC-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.25
Rot. Bonds5

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

1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 135887207) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID135887207
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC Name1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccncc5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C22H19N7O2/c1-13-25-22(31-28-13)19-10-16-9-15(3-4-17(16)26-19)20-11-18(27-29(20)2)21(30)24-12-14-5-7-23-8-6-14/h3-11,26H,12H2,1-2H3,(H,24,30)
InChIKeyYZBGNEFRYURCJC-UHFFFAOYSA-N
XLogP3.25
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (CID 135887207) is 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)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-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccncc5)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-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is YZBGNEFRYURCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c1-13-25-22(31-28-13)19-10-16-9-15(3-4-17(16)26-19)20-11-18(27-29(20)2)21(30)24-12-14-5-7-23-8-6-14/h3-11,26H,12H2,1-2H3,(H,24,30).
What are the key properties of 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 135887207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).