3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H14Cl3N5O — CID 135402958

IUPAC3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccnc3)[nH]c(=O)c12
InChIInChI=1S/C19H14Cl3N5O/c1-2-14-16-18(27(26-14)17-12(21)7-11(20)8-13(17)22)24-15(25-19(16)28)6-10-4-3-5-23-9-10/h3-5,7-9H,2,6H2,1H3,(H,24,25,28)
InChIKeyRVQZIDJAMAEGLG-UHFFFAOYSA-N
MW434.71 g/mol
LogP4.62
Rot. Bonds4

About 3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135402958) has the molecular formula C19H14Cl3N5O and a molecular weight of 434.71 g/mol. Its IUPAC name is 3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135402958
Molecular FormulaC19H14Cl3N5O
Molecular Weight434.71 g/mol
Exact Mass433.03
IUPAC Name3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccnc3)[nH]c(=O)c12
InChIInChI=1S/C19H14Cl3N5O/c1-2-14-16-18(27(26-14)17-12(21)7-11(20)8-13(17)22)24-15(25-19(16)28)6-10-4-3-5-23-9-10/h3-5,7-9H,2,6H2,1H3,(H,24,25,28)
InChIKeyRVQZIDJAMAEGLG-UHFFFAOYSA-N
XLogP4.62
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.71
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135402958) is 3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccnc3)[nH]c(=O)c12.
What is the InChIKey of 3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RVQZIDJAMAEGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3N5O/c1-2-14-16-18(27(26-14)17-12(21)7-11(20)8-13(17)22)24-15(25-19(16)28)6-10-4-3-5-23-9-10/h3-5,7-9H,2,6H2,1H3,(H,24,25,28).
What are the key properties of 3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 434.71 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(pyridin-3-ylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135402958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).