6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine

C17H20FN5OS — CID 118059087

IUPAC6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine
SMILESCc1nc2c(-c3ccccn3)nn(C(C)C)c2nc1S(=O)CCCF
InChIInChI=1S/C17H20FN5OS/c1-11(2)23-16-15(14(22-23)13-7-4-5-9-19-13)20-12(3)17(21-16)25(24)10-6-8-18/h4-5,7,9,11H,6,8,10H2,1-3H3
InChIKeyHXZDMTNGVDNKDD-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.24
Rot. Bonds6

About 6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine

6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine (PubChem CID 118059087) has the molecular formula C17H20FN5OS and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine
PubChem CID118059087
Molecular FormulaC17H20FN5OS
Molecular Weight361.45 g/mol
Exact Mass361.14
IUPAC Name6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine
SMILESCc1nc2c(-c3ccccn3)nn(C(C)C)c2nc1S(=O)CCCF
InChIInChI=1S/C17H20FN5OS/c1-11(2)23-16-15(14(22-23)13-7-4-5-9-19-13)20-12(3)17(21-16)25(24)10-6-8-18/h4-5,7,9,11H,6,8,10H2,1-3H3
InChIKeyHXZDMTNGVDNKDD-UHFFFAOYSA-N
XLogP3.24
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine (CID 118059087) is 6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine is Cc1nc2c(-c3ccccn3)nn(C(C)C)c2nc1S(=O)CCCF.
What is the InChIKey of 6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine?
The InChIKey is HXZDMTNGVDNKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5OS/c1-11(2)23-16-15(14(22-23)13-7-4-5-9-19-13)20-12(3)17(21-16)25(24)10-6-8-18/h4-5,7,9,11H,6,8,10H2,1-3H3.
What are the key properties of 6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine?
6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine has a molecular weight of 361.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropropylsulfinyl)-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 118059087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).