[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid

C25H22F3N5O3 — CID 155837546

IUPAC[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cccnc1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1
InChIInChI=1S/C23H21N5O.C2HF3O2/c29-23(19-7-4-12-24-15-19)27-13-10-18(11-14-27)22-25-21-9-8-20(16-28(21)26-22)17-5-2-1-3-6-17;3-2(4,5)1(6)7/h1-9,12,15-16,18H,10-11,13-14H2;(H,6,7)
InChIKeyLBDZPKAKCKFSFW-UHFFFAOYSA-N
MW497.48 g/mol
LogP4.44
Rot. Bonds3

About [4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid

[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155837546) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is [4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155837546
Molecular FormulaC25H22F3N5O3
Molecular Weight497.48 g/mol
Exact Mass497.17
IUPAC Name[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cccnc1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1
InChIInChI=1S/C23H21N5O.C2HF3O2/c29-23(19-7-4-12-24-15-19)27-13-10-18(11-14-27)22-25-21-9-8-20(16-28(21)26-22)17-5-2-1-3-6-17;3-2(4,5)1(6)7/h1-9,12,15-16,18H,10-11,13-14H2;(H,6,7)
InChIKeyLBDZPKAKCKFSFW-UHFFFAOYSA-N
XLogP4.44
TPSA100.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

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
(1-methylpyrrol-2-yl)-[3-(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155863827
furan-2-yl-[4-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155841042
oxan-4-yl-[4-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155824370
(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
[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
[4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 97362233
2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155829349
6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171695344
6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155828085
(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
[4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155837911

Frequently Asked Questions

What is the IUPAC name of [4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid (CID 155837546) is [4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cccnc1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1.
What is the InChIKey of [4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is LBDZPKAKCKFSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O.C2HF3O2/c29-23(19-7-4-12-24-15-19)27-13-10-18(11-14-27)22-25-21-9-8-20(16-28(21)26-22)17-5-2-1-3-6-17;3-2(4,5)1(6)7/h1-9,12,15-16,18H,10-11,13-14H2;(H,6,7).
What are the key properties of [4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid?
[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 497.48 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155837546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).