2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one

C13H13N5OS — CID 137175374

IUPAC2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN2CCCc3[nH]ncc32)nc2ccsc12
InChIInChI=1S/C13H13N5OS/c19-13-12-9(3-5-20-12)15-11(16-13)7-18-4-1-2-8-10(18)6-14-17-8/h3,5-6H,1-2,4,7H2,(H,14,17)(H,15,16,19)
InChIKeyUJUKJELPTPYLSI-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.66
Rot. Bonds2

About 2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one

2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137175374) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137175374
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN2CCCc3[nH]ncc32)nc2ccsc12
InChIInChI=1S/C13H13N5OS/c19-13-12-9(3-5-20-12)15-11(16-13)7-18-4-1-2-8-10(18)6-14-17-8/h3,5-6H,1-2,4,7H2,(H,14,17)(H,15,16,19)
InChIKeyUJUKJELPTPYLSI-UHFFFAOYSA-N
XLogP1.66
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 137175374) is 2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(CN2CCCc3[nH]ncc32)nc2ccsc12.
What is the InChIKey of 2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is UJUKJELPTPYLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c19-13-12-9(3-5-20-12)15-11(16-13)7-18-4-1-2-8-10(18)6-14-17-8/h3,5-6H,1-2,4,7H2,(H,14,17)(H,15,16,19).
What are the key properties of 2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 287.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137175374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).