methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate

C14H10N6O3S — CID 24750981

IUPACmethyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2ncnc(On3nnc4cccnc43)c2c1C
InChIInChI=1S/C14H10N6O3S/c1-7-9-12(16-6-17-13(9)24-10(7)14(21)22-2)23-20-11-8(18-19-20)4-3-5-15-11/h3-6H,1-2H3
InChIKeyMYTJFOFHDOBKNC-UHFFFAOYSA-N
MW342.34 g/mol
LogP1.77
Rot. Bonds3

About methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate

methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 24750981) has the molecular formula C14H10N6O3S and a molecular weight of 342.34 g/mol. Its IUPAC name is methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID24750981
Molecular FormulaC14H10N6O3S
Molecular Weight342.34 g/mol
Exact Mass342.05
IUPAC Namemethyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2ncnc(On3nnc4cccnc43)c2c1C
InChIInChI=1S/C14H10N6O3S/c1-7-9-12(16-6-17-13(9)24-10(7)14(21)22-2)23-20-11-8(18-19-20)4-3-5-15-11/h3-6H,1-2H3
InChIKeyMYTJFOFHDOBKNC-UHFFFAOYSA-N
XLogP1.77
TPSA104.91 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

methyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 90727553
ethyl 4-[(2-chloro-3-pyridinyl)oxy]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133308024
methyl 5-methyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 58413383
triazolo[4,5-b]pyridin-3-yl acetate
CID 18737155
methyl 4-(4-chloroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 20998710
ethyl 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 47807330
methyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28848426
ethyl 4-(4-methoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 1193202
methyl 4-(3-hydroxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28849922
ethyl 5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 3507448
ethyl 4-(2-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21011468
methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate
CID 2694891

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate (CID 24750981) is methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2ncnc(On3nnc4cccnc43)c2c1C.
What is the InChIKey of methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is MYTJFOFHDOBKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O3S/c1-7-9-12(16-6-17-13(9)24-10(7)14(21)22-2)23-20-11-8(18-19-20)4-3-5-15-11/h3-6H,1-2H3.
What are the key properties of methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate?
methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 342.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 24750981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).