5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C17H16N4OS — CID 47019423

IUPAC5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2nc(Cc3cn4ccccc4n3)[nH]c(=O)c12
InChIInChI=1S/C17H16N4OS/c1-3-12-10(2)23-17-15(12)16(22)19-13(20-17)8-11-9-21-7-5-4-6-14(21)18-11/h4-7,9H,3,8H2,1-2H3,(H,19,20,22)
InChIKeyNLWOCUHCFSDMBR-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.09
Rot. Bonds3

About 5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 47019423) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID47019423
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2nc(Cc3cn4ccccc4n3)[nH]c(=O)c12
InChIInChI=1S/C17H16N4OS/c1-3-12-10(2)23-17-15(12)16(22)19-13(20-17)8-11-9-21-7-5-4-6-14(21)18-11/h4-7,9H,3,8H2,1-2H3,(H,19,20,22)
InChIKeyNLWOCUHCFSDMBR-UHFFFAOYSA-N
XLogP3.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 47019423) is 5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is CCc1c(C)sc2nc(Cc3cn4ccccc4n3)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is NLWOCUHCFSDMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-3-12-10(2)23-17-15(12)16(22)19-13(20-17)8-11-9-21-7-5-4-6-14(21)18-11/h4-7,9H,3,8H2,1-2H3,(H,19,20,22).
What are the key properties of 5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 324.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 47019423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).