methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate

C20H19N5O2 — CID 123274888

IUPACmethyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate
SMILESCOC(=O)c1ncnn1C(c1c(C)cccc1C)c1cnc2ccccn12
InChIInChI=1S/C20H19N5O2/c1-13-7-6-8-14(2)17(13)18(25-19(20(26)27-3)22-12-23-25)15-11-21-16-9-4-5-10-24(15)16/h4-12,18H,1-3H3
InChIKeyINTLJXRQLWMRFB-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.97
Rot. Bonds4

About methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate

methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate (PubChem CID 123274888) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate
PubChem CID123274888
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Namemethyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate
SMILESCOC(=O)c1ncnn1C(c1c(C)cccc1C)c1cnc2ccccn12
InChIInChI=1S/C20H19N5O2/c1-13-7-6-8-14(2)17(13)18(25-19(20(26)27-3)22-12-23-25)15-11-21-16-9-4-5-10-24(15)16/h4-12,18H,1-3H3
InChIKeyINTLJXRQLWMRFB-UHFFFAOYSA-N
XLogP2.97
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate with MolForge

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Related Compounds

US10399985, Example 14
CID 118278105
2-[4-[4-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid
CID 122179547
(1-(8-(2,6-dimethylbenzylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-1H-1,2,4-triazol-3-yl)methanol
CID 24889679
N-(2-ethyl-6-methylbenzyl)-2,3-dimethyl-6-(1-methyl-1H-1,2,4-triazol-5-yl)imidazo[1,2-a]pyridin-8-amine
CID 24889844
N-(2,6-dimethylbenzyl)-2,3-dimethyl-6-(1H-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine
CID 24890872
(1-(8-(2,6-dimethylbenzylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-1H-1,2,4-triazol-5-yl)methanol
CID 44583591
N-(6-(4-(4-fluorophenyl)-1-(2-methoxy-ethyl)-1H-imidazol-5-yl)imidazo[1,2-b] pyridazin-2-yl)pivalamide
CID 118538935
1,3-Dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine
CID 165415015
5-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-2-carboxylic acid
CID 10408794
methyl 5-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-4-methylpyrimidine-2-carboxylate
CID 44331020
2-[4-[4-(4-Fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]acetic acid
CID 76325320
Lithium 2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]acetate
CID 76332539

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate?
The IUPAC name of methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate (CID 123274888) is methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate?
The canonical SMILES for methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate is COC(=O)c1ncnn1C(c1c(C)cccc1C)c1cnc2ccccn12.
What is the InChIKey of methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate?
The InChIKey is INTLJXRQLWMRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-7-6-8-14(2)17(13)18(25-19(20(26)27-3)22-12-23-25)15-11-21-16-9-4-5-10-24(15)16/h4-12,18H,1-3H3.
What are the key properties of methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate?
methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate has a molecular weight of 361.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 123274888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).