1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide

C20H14F6N6O2 — CID 155249798

IUPAC1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCCC(F)(F)F)cc2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21
InChIInChI=1S/C20H14F6N6O2/c1-32-14(17(33)28-5-3-19(21,22)23)8-11-7-13(29-9-15(11)32)12-6-10(2-4-27-12)16-30-18(34-31-16)20(24,25)26/h2,4,6-9H,3,5H2,1H3,(H,28,33)
InChIKeyOWWDFHVXDYUAJE-UHFFFAOYSA-N
MW484.36 g/mol
LogP4.39
Rot. Bonds5

About 1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide

1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155249798) has the molecular formula C20H14F6N6O2 and a molecular weight of 484.36 g/mol. Its IUPAC name is 1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155249798
Molecular FormulaC20H14F6N6O2
Molecular Weight484.36 g/mol
Exact Mass484.11
IUPAC Name1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCCC(F)(F)F)cc2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21
InChIInChI=1S/C20H14F6N6O2/c1-32-14(17(33)28-5-3-19(21,22)23)8-11-7-13(29-9-15(11)32)12-6-10(2-4-27-12)16-30-18(34-31-16)20(24,25)26/h2,4,6-9H,3,5H2,1H3,(H,28,33)
InChIKeyOWWDFHVXDYUAJE-UHFFFAOYSA-N
XLogP4.39
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
CID 138680285
N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155249867
[(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone
CID 155368385
5-azaspiro[2.4]heptan-5-yl-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanol
CID 162620282
N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
CID 167637658
[1-butyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol
CID 155249796
2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide
CID 138680160
2-phenyl-N-[6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3-pyridinyl]acetamide
CID 138680135
3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175035214
3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 138680295
3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 155249893
N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71185596

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155249798) is 1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide is Cn1c(C(=O)NCCC(F)(F)F)cc2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21.
What is the InChIKey of 1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is OWWDFHVXDYUAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N6O2/c1-32-14(17(33)28-5-3-19(21,22)23)8-11-7-13(29-9-15(11)32)12-6-10(2-4-27-12)16-30-18(34-31-16)20(24,25)26/h2,4,6-9H,3,5H2,1H3,(H,28,33).
What are the key properties of 1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide?
1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 484.36 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155249798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).