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

C24H26F3N5O4 — CID 155824370

IUPACoxan-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
SMILESO=C(C1CCOCC1)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H25N5O2.C2HF3O2/c28-22(18-7-13-29-14-8-18)26-11-5-17(6-12-26)21-24-20-2-1-19(15-27(20)25-21)16-3-9-23-10-4-16;3-2(4,5)1(6)7/h1-4,9-10,15,17-18H,5-8,11-14H2;(H,6,7)
InChIKeyLJVXGCQCOKGASQ-UHFFFAOYSA-N
MW505.50 g/mol
LogP3.56
Rot. Bonds3

About 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

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 (PubChem CID 155824370) has the molecular formula C24H26F3N5O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameoxan-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
PubChem CID155824370
Molecular FormulaC24H26F3N5O4
Molecular Weight505.50 g/mol
Exact Mass505.19
IUPAC Nameoxan-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
SMILESO=C(C1CCOCC1)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H25N5O2.C2HF3O2/c28-22(18-7-13-29-14-8-18)26-11-5-17(6-12-26)21-24-20-2-1-19(15-27(20)25-21)16-3-9-23-10-4-16;3-2(4,5)1(6)7/h1-4,9-10,15,17-18H,5-8,11-14H2;(H,6,7)
InChIKeyLJVXGCQCOKGASQ-UHFFFAOYSA-N
XLogP3.56
TPSA109.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 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
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
[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
(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
N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155859926
(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
2-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155839179
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
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155851279
[3-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827684
N,N-dimethyl-4-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171672567

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(C1CCOCC1)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is LJVXGCQCOKGASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2.C2HF3O2/c28-22(18-7-13-29-14-8-18)26-11-5-17(6-12-26)21-24-20-2-1-19(15-27(20)25-21)16-3-9-23-10-4-16;3-2(4,5)1(6)7/h1-4,9-10,15,17-18H,5-8,11-14H2;(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 505.50 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155824370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).