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

C24H21N7O — CID 54767416

IUPAC1-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)cc1
InChIInChI=1S/C24H21N7O/c1-15-4-3-5-20(28-15)24-23(18-8-11-22-26-14-27-31(22)13-18)29-21(30-24)12-25-19-9-6-17(7-10-19)16(2)32/h3-11,13-14,25H,12H2,1-2H3,(H,29,30)
InChIKeyQXWGKXZLGSMBSS-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.30
Rot. Bonds6

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

1-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]ethanone (PubChem CID 54767416) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 1-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]ethanone
PubChem CID54767416
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name1-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)cc1
InChIInChI=1S/C24H21N7O/c1-15-4-3-5-20(28-15)24-23(18-8-11-22-26-14-27-31(22)13-18)29-21(30-24)12-25-19-9-6-17(7-10-19)16(2)32/h3-11,13-14,25H,12H2,1-2H3,(H,29,30)
InChIKeyQXWGKXZLGSMBSS-UHFFFAOYSA-N
XLogP4.30
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]ethanone?
The IUPAC name of 1-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]ethanone (CID 54767416) is 1-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]ethanone is CC(=O)c1ccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)cc1.
What is the InChIKey of 1-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]ethanone?
The InChIKey is QXWGKXZLGSMBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-15-4-3-5-20(28-15)24-23(18-8-11-22-26-14-27-31(22)13-18)29-21(30-24)12-25-19-9-6-17(7-10-19)16(2)32/h3-11,13-14,25H,12H2,1-2H3,(H,29,30).
What are the key properties of 1-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]ethanone?
1-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]ethanone has a molecular weight of 423.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]ethanone is sourced from PubChem (CID 54767416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).