2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone

C19H17F3N4O2 — CID 134078572

IUPAC2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1cccc(-c2ccc3c(C4CCCN4C(=O)C(F)(F)F)nnn3c2)c1
InChIInChI=1S/C19H17F3N4O2/c1-28-14-5-2-4-12(10-14)13-7-8-16-17(23-24-26(16)11-13)15-6-3-9-25(15)18(27)19(20,21)22/h2,4-5,7-8,10-11,15H,3,6,9H2,1H3
InChIKeyDXIGOIMLAHHFHM-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.63
Rot. Bonds3

About 2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone (PubChem CID 134078572) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone
PubChem CID134078572
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1cccc(-c2ccc3c(C4CCCN4C(=O)C(F)(F)F)nnn3c2)c1
InChIInChI=1S/C19H17F3N4O2/c1-28-14-5-2-4-12(10-14)13-7-8-16-17(23-24-26(16)11-13)15-6-3-9-25(15)18(27)19(20,21)22/h2,4-5,7-8,10-11,15H,3,6,9H2,1H3
InChIKeyDXIGOIMLAHHFHM-UHFFFAOYSA-N
XLogP3.63
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[6-(3-methoxyanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155844197
[2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 134073507
[(2S)-2-[6-(3-methoxyanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 97448576
6-(3-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155851702
6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155853090
2,2,2-trifluoro-1-[2-[3-[(3-methoxyphenyl)methylamino]-4-(4-phenylphenyl)phenyl]piperidin-1-yl]ethanone
CID 142693874
1-[(2R)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 99786501
(3S)-3-(benzotriazol-1-yl)-1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 92581747
(2R,3S)-2-(3-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid
CID 178194654
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 171697135
[(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 167484817

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone (CID 134078572) is 2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone is COc1cccc(-c2ccc3c(C4CCCN4C(=O)C(F)(F)F)nnn3c2)c1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is DXIGOIMLAHHFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-28-14-5-2-4-12(10-14)13-7-8-16-17(23-24-26(16)11-13)15-6-3-9-25(15)18(27)19(20,21)22/h2,4-5,7-8,10-11,15H,3,6,9H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 390.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 134078572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).