5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one

C19H9ClF3N5OS — CID 52753634

IUPAC5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cnn3c(C(F)(F)F)ccnc23)nc2scc(-c3ccccc3Cl)c12
InChIInChI=1S/C19H9ClF3N5OS/c20-12-4-2-1-3-9(12)11-8-30-18-14(11)17(29)26-15(27-18)10-7-25-28-13(19(21,22)23)5-6-24-16(10)28/h1-8H,(H,26,27,29)
InChIKeyRHOVPOXPFSYOKD-UHFFFAOYSA-N
MW447.83 g/mol
LogP5.03
Rot. Bonds2

About 5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one

5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 52753634) has the molecular formula C19H9ClF3N5OS and a molecular weight of 447.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID52753634
Molecular FormulaC19H9ClF3N5OS
Molecular Weight447.83 g/mol
Exact Mass447.02
IUPAC Name5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cnn3c(C(F)(F)F)ccnc23)nc2scc(-c3ccccc3Cl)c12
InChIInChI=1S/C19H9ClF3N5OS/c20-12-4-2-1-3-9(12)11-8-30-18-14(11)17(29)26-15(27-18)10-7-25-28-13(19(21,22)23)5-6-24-16(10)28/h1-8H,(H,26,27,29)
InChIKeyRHOVPOXPFSYOKD-UHFFFAOYSA-N
XLogP5.03
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.83
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-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 5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 52753634) is 5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cnn3c(C(F)(F)F)ccnc23)nc2scc(-c3ccccc3Cl)c12.
What is the InChIKey of 5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is RHOVPOXPFSYOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9ClF3N5OS/c20-12-4-2-1-3-9(12)11-8-30-18-14(11)17(29)26-15(27-18)10-7-25-28-13(19(21,22)23)5-6-24-16(10)28/h1-8H,(H,26,27,29).
What are the key properties of 5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 447.83 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 52753634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).