ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate

C16H14N6O2 — CID 131987810

IUPACethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1ncn2c(C)cc(-c3cccc4ncnn34)nc12
InChIInChI=1S/C16H14N6O2/c1-3-24-16(23)14-15-20-11(7-10(2)21(15)9-18-14)12-5-4-6-13-17-8-19-22(12)13/h4-9H,3H2,1-2H3
InChIKeyZCAIUZFQGABCIY-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.92
Rot. Bonds3

About ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate

ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate (PubChem CID 131987810) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate
PubChem CID131987810
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Nameethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1ncn2c(C)cc(-c3cccc4ncnn34)nc12
InChIInChI=1S/C16H14N6O2/c1-3-24-16(23)14-15-20-11(7-10(2)21(15)9-18-14)12-5-4-6-13-17-8-19-22(12)13/h4-9H,3H2,1-2H3
InChIKeyZCAIUZFQGABCIY-UHFFFAOYSA-N
XLogP1.92
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate with MolForge

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Related Compounds

ethyl 2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate
CID 131988139
ethyl 2-formyl-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate
CID 131987868
ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate
CID 131988114
ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate
CID 121318992
ethyl 5-morpholin-4-ylimidazo[1,5-a]quinazoline-3-carboxylate
CID 18953495
ethyl 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
CID 46900211
ethyl 5-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986812
2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 131988138
ethyl 4-methyl-11-oxo-8,12,14,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2(7),3,5,9,13,15-heptaene-15-carboxylate
CID 167629784
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
ethyl 3-(4-methylphenyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
CID 1497405
ethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate
CID 16732082

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate (CID 131987810) is ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate is CCOC(=O)c1ncn2c(C)cc(-c3cccc4ncnn34)nc12.
What is the InChIKey of ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate?
The InChIKey is ZCAIUZFQGABCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-3-24-16(23)14-15-20-11(7-10(2)21(15)9-18-14)12-5-4-6-13-17-8-19-22(12)13/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate?
ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate has a molecular weight of 322.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate is sourced from PubChem (CID 131987810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).