1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine

C16H15FN4OS — CID 16603771

IUPAC1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine
SMILESFc1ccc(-n2ncc3c(SCC4CCCO4)ncnc32)cc1
InChIInChI=1S/C16H15FN4OS/c17-11-3-5-12(6-4-11)21-15-14(8-20-21)16(19-10-18-15)23-9-13-2-1-7-22-13/h3-6,8,10,13H,1-2,7,9H2
InChIKeyRDLUTSUPGFEXSF-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine

1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 16603771) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine
PubChem CID16603771
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine
SMILESFc1ccc(-n2ncc3c(SCC4CCCO4)ncnc32)cc1
InChIInChI=1S/C16H15FN4OS/c17-11-3-5-12(6-4-11)21-15-14(8-20-21)16(19-10-18-15)23-9-13-2-1-7-22-13/h3-6,8,10,13H,1-2,7,9H2
InChIKeyRDLUTSUPGFEXSF-UHFFFAOYSA-N
XLogP3.23
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine
CID 17456265
3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine
CID 51670956
4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 7199646
methyl 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetate
CID 7199813
3-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 78846673
6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine
CID 8642556
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide
CID 18561807
ethyl (2S)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylbutanoate
CID 7199818
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 18561781
ethyl 4-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 18561783
N-[(4-fluorophenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 2653470
6-amino-1-cyclopropyl-5-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24601344

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine (CID 16603771) is 1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine is Fc1ccc(-n2ncc3c(SCC4CCCO4)ncnc32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is RDLUTSUPGFEXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c17-11-3-5-12(6-4-11)21-15-14(8-20-21)16(19-10-18-15)23-9-13-2-1-7-22-13/h3-6,8,10,13H,1-2,7,9H2.
What are the key properties of 1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 330.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 16603771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).