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

C20H14Cl2F2N4O — CID 11464704

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)pyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c1=O
InChIInChI=1S/C20H14Cl2F2N4O/c1-20(23,24)10-27-11-25-16-17(19(27)29)26-28(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9,11H,10H2,1H3
InChIKeyUDTAPYABKMLLTD-UHFFFAOYSA-N
MW435.26 g/mol
LogP5.21
Rot. Bonds4

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

2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 11464704) has the molecular formula C20H14Cl2F2N4O and a molecular weight of 435.26 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID11464704
Molecular FormulaC20H14Cl2F2N4O
Molecular Weight435.26 g/mol
Exact Mass434.05
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)pyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c1=O
InChIInChI=1S/C20H14Cl2F2N4O/c1-20(23,24)10-27-11-25-16-17(19(27)29)26-28(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9,11H,10H2,1H3
InChIKeyUDTAPYABKMLLTD-UHFFFAOYSA-N
XLogP5.21
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.26
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)pyrazolo[4,3-d]pyrimidin-7-one (CID 11464704) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)pyrazolo[4,3-d]pyrimidin-7-one is CC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c1=O.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is UDTAPYABKMLLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F2N4O/c1-20(23,24)10-27-11-25-16-17(19(27)29)26-28(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9,11H,10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)pyrazolo[4,3-d]pyrimidin-7-one?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 435.26 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 11464704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).