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

C22H24N6O3 — CID 135887153

IUPAC1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxan-4-ylmethyl)pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCC5CCOCC5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C22H24N6O3/c1-13-24-22(31-27-13)19-10-16-9-15(3-4-17(16)25-19)20-11-18(26-28(20)2)21(29)23-12-14-5-7-30-8-6-14/h3-4,9-11,14,25H,5-8,12H2,1-2H3,(H,23,29)
InChIKeyFBPIFEZPVYVYAO-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.08
Rot. Bonds5

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

1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxan-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 135887153) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxan-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-(oxan-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID135887153
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxan-4-ylmethyl)pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCC5CCOCC5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C22H24N6O3/c1-13-24-22(31-27-13)19-10-16-9-15(3-4-17(16)25-19)20-11-18(26-28(20)2)21(29)23-12-14-5-7-30-8-6-14/h3-4,9-11,14,25H,5-8,12H2,1-2H3,(H,23,29)
InChIKeyFBPIFEZPVYVYAO-UHFFFAOYSA-N
XLogP3.08
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(oxan-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-(oxan-4-ylmethyl)pyrazole-3-carboxamide (CID 135887153) is 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxan-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-(oxan-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-(oxan-4-ylmethyl)pyrazole-3-carboxamide is Cc1noc(-c2cc3cc(-c4cc(C(=O)NCC5CCOCC5)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-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is FBPIFEZPVYVYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-13-24-22(31-27-13)19-10-16-9-15(3-4-17(16)25-19)20-11-18(26-28(20)2)21(29)23-12-14-5-7-30-8-6-14/h3-4,9-11,14,25H,5-8,12H2,1-2H3,(H,23,29).
What are the key properties of 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxan-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.08, 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-(oxan-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 135887153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).