4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine

C19H14F2N4S — CID 60558325

IUPAC4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCC(Sc1ncnc2c1cnn2-c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H14F2N4S/c1-12(15-8-7-13(20)9-17(15)21)26-19-16-10-24-25(18(16)22-11-23-19)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyZHCYCCVHWXUWLB-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.95
Rot. Bonds4

About 4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine

4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 60558325) has the molecular formula C19H14F2N4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID60558325
Molecular FormulaC19H14F2N4S
Molecular Weight368.41 g/mol
Exact Mass368.09
IUPAC Name4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCC(Sc1ncnc2c1cnn2-c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H14F2N4S/c1-12(15-8-7-13(20)9-17(15)21)26-19-16-10-24-25(18(16)22-11-23-19)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyZHCYCCVHWXUWLB-UHFFFAOYSA-N
XLogP4.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine
CID 17456265
N-(4-fluorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 18078079
N-(2,4-difluorophenyl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylpropanamide
CID 24601301
methyl (2R)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylpropanoate
CID 7199825
4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine
CID 70606737
2-[1-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 55495516
3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole
CID 60514365
N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylpropanamide
CID 24601306
N-ethyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 18199092
(2R)-N-carbamoyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 2639659
ethyl (2S)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylbutanoate
CID 7199818
S-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl) carbamothioate
CID 88782245

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine (CID 60558325) is 4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine is CC(Sc1ncnc2c1cnn2-c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of 4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is ZHCYCCVHWXUWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4S/c1-12(15-8-7-13(20)9-17(15)21)26-19-16-10-24-25(18(16)22-11-23-19)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine?
4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 368.41 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 60558325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).