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

C24H21N7O2 — CID 54771763

IUPACmethyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
SMILESCOC(=O)c1ccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)cc1
InChIInChI=1S/C24H21N7O2/c1-15-4-3-5-19(28-15)23-22(17-8-11-21-26-14-27-31(21)13-17)29-20(30-23)12-25-18-9-6-16(7-10-18)24(32)33-2/h3-11,13-14,25H,12H2,1-2H3,(H,29,30)
InChIKeyROQACMUXVQNRCG-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.89
Rot. Bonds6

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

methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate (PubChem CID 54771763) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
PubChem CID54771763
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Namemethyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
SMILESCOC(=O)c1ccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)cc1
InChIInChI=1S/C24H21N7O2/c1-15-4-3-5-19(28-15)23-22(17-8-11-21-26-14-27-31(21)13-17)29-20(30-23)12-25-18-9-6-16(7-10-18)24(32)33-2/h3-11,13-14,25H,12H2,1-2H3,(H,29,30)
InChIKeyROQACMUXVQNRCG-UHFFFAOYSA-N
XLogP3.89
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate?
The IUPAC name of methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate (CID 54771763) is methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate.
What is the SMILES notation for methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate?
The canonical SMILES for methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate is COC(=O)c1ccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)cc1.
What is the InChIKey of methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate?
The InChIKey is ROQACMUXVQNRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-15-4-3-5-19(28-15)23-22(17-8-11-21-26-14-27-31(21)13-17)29-20(30-23)12-25-18-9-6-16(7-10-18)24(32)33-2/h3-11,13-14,25H,12H2,1-2H3,(H,29,30).
What are the key properties of methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate?
methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate has a molecular weight of 439.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate is sourced from PubChem (CID 54771763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).