2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid

C20H26F3N5O4 — CID 118744171

IUPAC2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N5O2.C2HF3O2/c1-25-13-17(24)22-10-6-14(7-11-22)18-19-16-5-4-15(12-23(16)20-18)21-8-2-3-9-21;3-2(4,5)1(6)7/h4-5,12,14H,2-3,6-11,13H2,1H3;(H,6,7)
InChIKeyVEVVBONFWPMPBZ-UHFFFAOYSA-N
MW457.45 g/mol
LogP2.32
Rot. Bonds4

About 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid

2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 118744171) has the molecular formula C20H26F3N5O4 and a molecular weight of 457.45 g/mol. Its IUPAC name is 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID118744171
Molecular FormulaC20H26F3N5O4
Molecular Weight457.45 g/mol
Exact Mass457.19
IUPAC Name2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N5O2.C2HF3O2/c1-25-13-17(24)22-10-6-14(7-11-22)18-19-16-5-4-15(12-23(16)20-18)21-8-2-3-9-21;3-2(4,5)1(6)7/h4-5,12,14H,2-3,6-11,13H2,1H3;(H,6,7)
InChIKeyVEVVBONFWPMPBZ-UHFFFAOYSA-N
XLogP2.32
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(R)-methyl 2-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylamino)-2-oxoacetate
CID 58386261
US10023576, Example 113
CID 130363004
N-[[(5S)-3-[3-fluoro-4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 101913836
2-[1-(2-Methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 95043058
2-Methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone
CID 97362309
N,N-dimethyl-4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide
CID 97362311
2-Methoxy-1-[4-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone
CID 97362333
2-Ethoxy-1-[4-({[1,2,4]triazolo[1,5-A]pyridin-8-YL}amino)piperidin-1-YL]ethan-1-one
CID 53190813
N-{2-Ethyl-[1,2,4]triazolo[1,5-A]pyridin-8-YL}-2-methoxyacetamide
CID 53190371
"N-(2-isopropyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxyacetamide"
CID 53190422
N~1~-(2-Cyclobutyl[1,2,4]triazolo[1,5-A]pyridin-8-YL)-2-methoxyacetamide
CID 53190496
1-[4-[6-(2-Methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118743332

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid (CID 118744171) is 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid is COCC(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is VEVVBONFWPMPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.C2HF3O2/c1-25-13-17(24)22-10-6-14(7-11-22)18-19-16-5-4-15(12-23(16)20-18)21-8-2-3-9-21;3-2(4,5)1(6)7/h4-5,12,14H,2-3,6-11,13H2,1H3;(H,6,7).
What are the key properties of 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 457.45 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).