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

C21H18N6O3 — CID 135887155

IUPACN-(furan-3-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccoc5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C21H18N6O3/c1-12-23-21(30-26-12)18-8-15-7-14(3-4-16(15)24-18)19-9-17(25-27(19)2)20(28)22-10-13-5-6-29-11-13/h3-9,11,24H,10H2,1-2H3,(H,22,28)
InChIKeyFGVGIBSXAZQLHG-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.45
Rot. Bonds5

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

N-(furan-3-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide (PubChem CID 135887155) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide
PubChem CID135887155
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC NameN-(furan-3-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccoc5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C21H18N6O3/c1-12-23-21(30-26-12)18-8-15-7-14(3-4-16(15)24-18)19-9-17(25-27(19)2)20(28)22-10-13-5-6-29-11-13/h3-9,11,24H,10H2,1-2H3,(H,22,28)
InChIKeyFGVGIBSXAZQLHG-UHFFFAOYSA-N
XLogP3.45
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidin-3-yl]-1,3-diethylpyrazole-5-carboxamide
CID 76332639
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76332651
US8785489, N-(3-furylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide
CID 135887111
US8785489, N-(2-furylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-pyrazole-3-carboxamide
CID 135887152
US8785489, 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(tetrahydro-2H-pyran-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 135887153
US8785489, 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 135887168
US8785489, 1-methyl-N-[(5-methylisoxazol-3-yl)methyl]-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-pyrazole-3-carboxamide
CID 135887170
US8785489, 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 135887173
US8785489, N-(4-cyanobenzyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-pyrazole-3-carboxamide
CID 135887197
1-Methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-pyrazole-3-carboxylic acid(pyridin-4-ylmethyl)-amide
CID 135887207
methyl 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-pyrazole-3-carboxylate
CID 136198083
US8785489, N-(4-fluorobenzyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-pyrazole-3-carboxamide
CID 136341017

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide (CID 135887155) is N-(furan-3-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide is Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccoc5)nn4C)ccc3[nH]2)n1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide?
The InChIKey is FGVGIBSXAZQLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c1-12-23-21(30-26-12)18-8-15-7-14(3-4-16(15)24-18)19-9-17(25-27(19)2)20(28)22-10-13-5-6-29-11-13/h3-9,11,24H,10H2,1-2H3,(H,22,28).
What are the key properties of N-(furan-3-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide?
N-(furan-3-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 135887155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).