[2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

C22H19FN6O — CID 131638765

IUPAC[2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC1c1nnn2cc(Nc3cccc(F)c3)ccc12
InChIInChI=1S/C22H19FN6O/c23-16-3-1-4-17(13-16)25-18-6-7-20-21(26-27-29(20)14-18)19-5-2-12-28(19)22(30)15-8-10-24-11-9-15/h1,3-4,6-11,13-14,19,25H,2,5,12H2
InChIKeyPYASNWXXIPREKY-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.98
Rot. Bonds4

About [2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

[2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 131638765) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is [2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID131638765
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name[2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC1c1nnn2cc(Nc3cccc(F)c3)ccc12
InChIInChI=1S/C22H19FN6O/c23-16-3-1-4-17(13-16)25-18-6-7-20-21(26-27-29(20)14-18)19-5-2-12-28(19)22(30)15-8-10-24-11-9-15/h1,3-4,6-11,13-14,19,25H,2,5,12H2
InChIKeyPYASNWXXIPREKY-UHFFFAOYSA-N
XLogP3.98
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[6-(3-methoxyanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 97448576
[2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 134073507
[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
5-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53072161
[3-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155862934
cyclopropyl-[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92568798
cyclopentyl-[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92568808
6-(3-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155851702
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92568816
1-[(2R)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92585248
1-[(2R)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 92551731

Frequently Asked Questions

What is the IUPAC name of [2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 131638765) is [2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCC1c1nnn2cc(Nc3cccc(F)c3)ccc12.
What is the InChIKey of [2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is PYASNWXXIPREKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c23-16-3-1-4-17(13-16)25-18-6-7-20-21(26-27-29(20)14-18)19-5-2-12-28(19)22(30)15-8-10-24-11-9-15/h1,3-4,6-11,13-14,19,25H,2,5,12H2.
What are the key properties of [2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 402.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 131638765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).