1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone

C21H21FN8O — CID 44571362

IUPAC1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3ccc4ncnn4c3)c(-c3ccc(F)c(C)n3)[nH]2)CC1
InChIInChI=1S/C21H21FN8O/c1-13-16(22)4-5-17(25-13)20-19(15-3-6-18-23-12-24-30(18)11-15)26-21(27-20)29-9-7-28(8-10-29)14(2)31/h3-6,11-12H,7-10H2,1-2H3,(H,26,27)
InChIKeyGFLLKSLFGFQMPG-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.30
Rot. Bonds3

About 1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone

1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 44571362) has the molecular formula C21H21FN8O and a molecular weight of 420.45 g/mol. Its IUPAC name is 1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone
PubChem CID44571362
Molecular FormulaC21H21FN8O
Molecular Weight420.45 g/mol
Exact Mass420.18
IUPAC Name1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3ccc4ncnn4c3)c(-c3ccc(F)c(C)n3)[nH]2)CC1
InChIInChI=1S/C21H21FN8O/c1-13-16(22)4-5-17(25-13)20-19(15-3-6-18-23-12-24-30(18)11-15)26-21(27-20)29-9-7-28(8-10-29)14(2)31/h3-6,11-12H,7-10H2,1-2H3,(H,26,27)
InChIKeyGFLLKSLFGFQMPG-UHFFFAOYSA-N
XLogP2.30
TPSA95.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone (CID 44571362) is 1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(-c3ccc4ncnn4c3)c(-c3ccc(F)c(C)n3)[nH]2)CC1.
What is the InChIKey of 1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is GFLLKSLFGFQMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN8O/c1-13-16(22)4-5-17(25-13)20-19(15-3-6-18-23-12-24-30(18)11-15)26-21(27-20)29-9-7-28(8-10-29)14(2)31/h3-6,11-12H,7-10H2,1-2H3,(H,26,27).
What are the key properties of 1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone?
1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 420.45 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 44571362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).