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

C22H18FN5O — CID 134073507

IUPAC[2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC1c1nnn2cc(-c3cccc(F)c3)ccc12
InChIInChI=1S/C22H18FN5O/c23-18-4-1-3-16(13-18)17-6-7-20-21(25-26-28(20)14-17)19-5-2-12-27(19)22(29)15-8-10-24-11-9-15/h1,3-4,6-11,13-14,19H,2,5,12H2
InChIKeyMWUDKIRGZNQTEQ-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.91
Rot. Bonds3

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

[2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 134073507) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is [2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID134073507
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name[2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC1c1nnn2cc(-c3cccc(F)c3)ccc12
InChIInChI=1S/C22H18FN5O/c23-18-4-1-3-16(13-18)17-6-7-20-21(25-26-28(20)14-17)19-5-2-12-27(19)22(29)15-8-10-24-11-9-15/h1,3-4,6-11,13-14,19H,2,5,12H2
InChIKeyMWUDKIRGZNQTEQ-UHFFFAOYSA-N
XLogP3.91
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 131638765
[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
6-(3-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155851702
[(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-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine
CID 131648139
2,2,2-trifluoro-1-[2-[6-(3-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone
CID 134078572
[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
pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155866696
[3-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155851267
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 95814883
N-[4-(3-fluorophenyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 45208634
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110253092

Frequently Asked Questions

What is the IUPAC name of [2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 134073507) is [2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCC1c1nnn2cc(-c3cccc(F)c3)ccc12.
What is the InChIKey of [2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is MWUDKIRGZNQTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c23-18-4-1-3-16(13-18)17-6-7-20-21(25-26-28(20)14-17)19-5-2-12-27(19)22(29)15-8-10-24-11-9-15/h1,3-4,6-11,13-14,19H,2,5,12H2.
What are the key properties of [2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 387.42 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 134073507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).