1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one

C17H21N5O2S — CID 138523077

IUPAC1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCSc1ncc2c(=O)n(C(C)C)n(-c3ccnc(C(C)(C)O)c3)c2n1
InChIInChI=1S/C17H21N5O2S/c1-10(2)21-15(23)12-9-19-16(25-5)20-14(12)22(21)11-6-7-18-13(8-11)17(3,4)24/h6-10,24H,1-5H3
InChIKeyQOVIYFKUFRIVKK-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.51
Rot. Bonds4

About 1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one

1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 138523077) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
PubChem CID138523077
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCSc1ncc2c(=O)n(C(C)C)n(-c3ccnc(C(C)(C)O)c3)c2n1
InChIInChI=1S/C17H21N5O2S/c1-10(2)21-15(23)12-9-19-16(25-5)20-14(12)22(21)11-6-7-18-13(8-11)17(3,4)24/h6-10,24H,1-5H3
InChIKeyQOVIYFKUFRIVKK-UHFFFAOYSA-N
XLogP2.51
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-2-[6-(6-methylsulfanyl-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)-2-pyridinyl]propanenitrile
CID 138522925
tert-butyl 6-[[1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 138522898
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-one
CID 151178724
1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536970
1-[2-(3-fluoro-2-hydroxybutan-2-yl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 164971358
1-(2-tert-butyl-4-pyridinyl)-6-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138553648
1-(2-tert-butyl-4-pyridinyl)-6-[(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138537717
1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138536192
1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138553936
6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138553651
2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
CID 138538276
1-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536036

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one (CID 138523077) is 1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one is CSc1ncc2c(=O)n(C(C)C)n(-c3ccnc(C(C)(C)O)c3)c2n1.
What is the InChIKey of 1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is QOVIYFKUFRIVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-10(2)21-15(23)12-9-19-16(25-5)20-14(12)22(21)11-6-7-18-13(8-11)17(3,4)24/h6-10,24H,1-5H3.
What are the key properties of 1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 359.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 138523077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).