6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine

C18H9N7OS — CID 137438964

IUPAC6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine
SMILESc1ncc2cc(-c3ncc4cc(-c5ccn6nncc6c5)sc4n3)oc2n1
InChIInChI=1S/C18H9N7OS/c1-2-25-13(8-22-24-25)3-10(1)15-5-12-7-20-16(23-18(12)27-15)14-4-11-6-19-9-21-17(11)26-14/h1-9H
InChIKeyKTUDQWQENMMABZ-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.60
Rot. Bonds2

About 6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine

6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine (PubChem CID 137438964) has the molecular formula C18H9N7OS and a molecular weight of 371.39 g/mol. Its IUPAC name is 6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine
PubChem CID137438964
Molecular FormulaC18H9N7OS
Molecular Weight371.39 g/mol
Exact Mass371.06
IUPAC Name6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine
SMILESc1ncc2cc(-c3ncc4cc(-c5ccn6nncc6c5)sc4n3)oc2n1
InChIInChI=1S/C18H9N7OS/c1-2-25-13(8-22-24-25)3-10(1)15-5-12-7-20-16(23-18(12)27-15)14-4-11-6-19-9-21-17(11)26-14/h1-9H
InChIKeyKTUDQWQENMMABZ-UHFFFAOYSA-N
XLogP3.60
TPSA94.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine?
The IUPAC name of 6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine (CID 137438964) is 6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine.
What is the SMILES notation for 6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine?
The canonical SMILES for 6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine is c1ncc2cc(-c3ncc4cc(-c5ccn6nncc6c5)sc4n3)oc2n1.
What is the InChIKey of 6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine?
The InChIKey is KTUDQWQENMMABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9N7OS/c1-2-25-13(8-22-24-25)3-10(1)15-5-12-7-20-16(23-18(12)27-15)14-4-11-6-19-9-21-17(11)26-14/h1-9H.
What are the key properties of 6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine?
6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine has a molecular weight of 371.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(triazolo[1,5-a]pyridin-5-yl)thieno[2,3-d]pyrimidin-2-yl]furo[2,3-d]pyrimidine is sourced from PubChem (CID 137438964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).