3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one

C18H10Cl2F3N5O — CID 11442022

IUPAC3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one
SMILESO=c1c2nn(-c3ncccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1CC(F)(F)F
InChIInChI=1S/C18H10Cl2F3N5O/c19-11-5-3-10(4-6-11)15-13-14(17(29)27(9-25-13)8-18(21,22)23)26-28(15)16-12(20)2-1-7-24-16/h1-7,9H,8H2
InChIKeyOQWQPFSXWFOBRH-UHFFFAOYSA-N
MW440.21 g/mol
LogP4.51
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one

3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 11442022) has the molecular formula C18H10Cl2F3N5O and a molecular weight of 440.21 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID11442022
Molecular FormulaC18H10Cl2F3N5O
Molecular Weight440.21 g/mol
Exact Mass439.02
IUPAC Name3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one
SMILESO=c1c2nn(-c3ncccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1CC(F)(F)F
InChIInChI=1S/C18H10Cl2F3N5O/c19-11-5-3-10(4-6-11)15-13-14(17(29)27(9-25-13)8-18(21,22)23)26-28(15)16-12(20)2-1-7-24-16/h1-7,9H,8H2
InChIKeyOQWQPFSXWFOBRH-UHFFFAOYSA-N
XLogP4.51
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.21
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-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-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one (CID 11442022) is 3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one is O=c1c2nn(-c3ncccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1CC(F)(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is OQWQPFSXWFOBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F3N5O/c19-11-5-3-10(4-6-11)15-13-14(17(29)27(9-25-13)8-18(21,22)23)26-28(15)16-12(20)2-1-7-24-16/h1-7,9H,8H2.
What are the key properties of 3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one?
3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 440.21 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 11442022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).