pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)

C25H20F6N6O5 — CID 155866696

IUPACpyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1ccncc1)N1CCC(c2nnn3cc(-c4ccncc4)ccc23)C1
InChIInChI=1S/C21H18N6O.2C2HF3O2/c28-21(16-5-10-23-11-6-16)26-12-7-18(13-26)20-19-2-1-17(14-27(19)25-24-20)15-3-8-22-9-4-15;2*3-2(4,5)1(6)7/h1-6,8-11,14,18H,7,12-13H2;2*(H,6,7)
InChIKeyFTPXFXNSMBYPQY-UHFFFAOYSA-N
MW598.46 g/mol
LogP4.08
Rot. Bonds3

About pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)

pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155866696) has the molecular formula C25H20F6N6O5 and a molecular weight of 598.46 g/mol. Its IUPAC name is pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namepyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
PubChem CID155866696
Molecular FormulaC25H20F6N6O5
Molecular Weight598.46 g/mol
Exact Mass598.14
IUPAC Namepyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1ccncc1)N1CCC(c2nnn3cc(-c4ccncc4)ccc23)C1
InChIInChI=1S/C21H18N6O.2C2HF3O2/c28-21(16-5-10-23-11-6-16)26-12-7-18(13-26)20-19-2-1-17(14-27(19)25-24-20)15-3-8-22-9-4-15;2*3-2(4,5)1(6)7/h1-6,8-11,14,18H,7,12-13H2;2*(H,6,7)
InChIKeyFTPXFXNSMBYPQY-UHFFFAOYSA-N
XLogP4.08
TPSA150.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155852687
[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
3-(1-propan-2-ylpyrrolidin-3-yl)-6-pyridin-3-yltriazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155860680
3-[4-[(4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]-6-pyridin-4-yltriazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171694661
(2-fluorophenyl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155840533
pyridin-3-yl-[4-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155849998
3-[4-[(4-methoxyphenyl)methyl]-1-methylpiperazin-2-yl]-6-pyridin-4-yltriazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155844682
[2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 134073507
(3-methylthiophen-2-yl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155865625
pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137853
[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
[2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 131673609

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 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) is pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1ccncc1)N1CCC(c2nnn3cc(-c4ccncc4)ccc23)C1.
What is the InChIKey of pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is FTPXFXNSMBYPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O.2C2HF3O2/c28-21(16-5-10-23-11-6-16)26-12-7-18(13-26)20-19-2-1-17(14-27(19)25-24-20)15-3-8-22-9-4-15;2*3-2(4,5)1(6)7/h1-6,8-11,14,18H,7,12-13H2;2*(H,6,7).
What are the key properties of pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)?
pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 598.46 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155866696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).