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

C16H20N6O2S2 — CID 155193438

IUPAC6-methylsulfanyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCSc1ncc2c(=O)n(C(C)C)n(-c3csc(N4CCOCC4)n3)c2n1
InChIInChI=1S/C16H20N6O2S2/c1-10(2)21-14(23)11-8-17-15(25-3)19-13(11)22(21)12-9-26-16(18-12)20-4-6-24-7-5-20/h8-10H,4-7H2,1-3H3
InChIKeyQJJXIXQHUSVHPB-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.18
Rot. Bonds4

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

6-methylsulfanyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 155193438) has the molecular formula C16H20N6O2S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 6-methylsulfanyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name6-methylsulfanyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
PubChem CID155193438
Molecular FormulaC16H20N6O2S2
Molecular Weight392.51 g/mol
Exact Mass392.11
IUPAC Name6-methylsulfanyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCSc1ncc2c(=O)n(C(C)C)n(-c3csc(N4CCOCC4)n3)c2n1
InChIInChI=1S/C16H20N6O2S2/c1-10(2)21-14(23)11-8-17-15(25-3)19-13(11)22(21)12-9-26-16(18-12)20-4-6-24-7-5-20/h8-10H,4-7H2,1-3H3
InChIKeyQJJXIXQHUSVHPB-UHFFFAOYSA-N
XLogP2.18
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 6-methylsulfanyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one (CID 155193438) is 6-methylsulfanyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 6-methylsulfanyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 6-methylsulfanyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one is CSc1ncc2c(=O)n(C(C)C)n(-c3csc(N4CCOCC4)n3)c2n1.
What is the InChIKey of 6-methylsulfanyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is QJJXIXQHUSVHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S2/c1-10(2)21-14(23)11-8-17-15(25-3)19-13(11)22(21)12-9-26-16(18-12)20-4-6-24-7-5-20/h8-10H,4-7H2,1-3H3.
What are the key properties of 6-methylsulfanyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
6-methylsulfanyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 392.51 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 155193438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).