4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide

C18H12F3N5O2 — CID 142408791

IUPAC4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2n1
InChIInChI=1S/C18H12F3N5O2/c1-9-15(26-28-25-9)17(27)24-14-7-6-10-8-13(22-16(10)23-14)11-4-2-3-5-12(11)18(19,20)21/h2-8H,1H3,(H2,22,23,24,27)
InChIKeySTWYUYKRPWIMFY-UHFFFAOYSA-N
MW387.32 g/mol
LogP4.19
Rot. Bonds3

About 4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 142408791) has the molecular formula C18H12F3N5O2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID142408791
Molecular FormulaC18H12F3N5O2
Molecular Weight387.32 g/mol
Exact Mass387.09
IUPAC Name4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2n1
InChIInChI=1S/C18H12F3N5O2/c1-9-15(26-28-25-9)17(27)24-14-7-6-10-8-13(22-16(10)23-14)11-4-2-3-5-12(11)18(19,20)21/h2-8H,1H3,(H2,22,23,24,27)
InChIKeySTWYUYKRPWIMFY-UHFFFAOYSA-N
XLogP4.19
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide (CID 142408791) is 4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2n1.
What is the InChIKey of 4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is STWYUYKRPWIMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O2/c1-9-15(26-28-25-9)17(27)24-14-7-6-10-8-13(22-16(10)23-14)11-4-2-3-5-12(11)18(19,20)21/h2-8H,1H3,(H2,22,23,24,27).
What are the key properties of 4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 387.32 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 142408791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).