6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H23N5O2S — CID 137266314

IUPAC6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC1(CC)CN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCS1=O
InChIInChI=1S/C19H23N5O2S/c1-3-19(4-2)13-23(10-11-27(19)26)18-21-16-15(17(25)22-18)12-20-24(16)14-8-6-5-7-9-14/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,21,22,25)
InChIKeyJFKVZLXPTKNFAS-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.24
Rot. Bonds4

About 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137266314) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137266314
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC1(CC)CN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCS1=O
InChIInChI=1S/C19H23N5O2S/c1-3-19(4-2)13-23(10-11-27(19)26)18-21-16-15(17(25)22-18)12-20-24(16)14-8-6-5-7-9-14/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,21,22,25)
InChIKeyJFKVZLXPTKNFAS-UHFFFAOYSA-N
XLogP2.24
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-6-piperazin-1-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991240
6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269886
6-[(3S)-3-hydroxypiperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136757975
6-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136757977
6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137271985
6-[4-(3,5-dimethoxyphenyl)-1,4-diazepan-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166217841
6-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137248397
6-[2-(oxolan-2-yl)morpholin-4-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166216929
6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137271666
6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991244
6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275297
1-methyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 141390559

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137266314) is 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCC1(CC)CN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCS1=O.
What is the InChIKey of 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JFKVZLXPTKNFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-3-19(4-2)13-23(10-11-27(19)26)18-21-16-15(17(25)22-18)12-20-24(16)14-8-6-5-7-9-14/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,21,22,25).
What are the key properties of 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 385.49 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137266314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).