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

C21H19N7O3 — CID 135887170

IUPAC1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cc(C)on5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C21H19N7O3/c1-11-6-15(27-30-11)10-22-20(29)17-9-19(28(3)25-17)13-4-5-16-14(7-13)8-18(24-16)21-23-12(2)26-31-21/h4-9,24H,10H2,1-3H3,(H,22,29)
InChIKeyGPVFHWUNUWSWLY-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.15
Rot. Bonds5

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

1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 135887170) has the molecular formula C21H19N7O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(5-methyl-1,2-oxazol-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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID135887170
Molecular FormulaC21H19N7O3
Molecular Weight417.43 g/mol
Exact Mass417.15
IUPAC Name1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cc(C)on5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C21H19N7O3/c1-11-6-15(27-30-11)10-22-20(29)17-9-19(28(3)25-17)13-4-5-16-14(7-13)8-18(24-16)21-23-12(2)26-31-21/h4-9,24H,10H2,1-3H3,(H,22,29)
InChIKeyGPVFHWUNUWSWLY-UHFFFAOYSA-N
XLogP3.15
TPSA127.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.15
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-[(5-methyl-1,2-oxazol-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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide (CID 135887170) is 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(5-methyl-1,2-oxazol-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-[(5-methyl-1,2-oxazol-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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide is Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cc(C)on5)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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is GPVFHWUNUWSWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3/c1-11-6-15(27-30-11)10-22-20(29)17-9-19(28(3)25-17)13-4-5-16-14(7-13)8-18(24-16)21-23-12(2)26-31-21/h4-9,24H,10H2,1-3H3,(H,22,29).
What are the key properties of 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide?
1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 3.15, 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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 135887170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).