2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole

C18H20N6S — CID 162433241

IUPAC2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole
SMILESCc1cn2nc(-n3cc4cc(C5CCNCC5)sc4n3)cc2c(C)n1
InChIInChI=1S/C18H20N6S/c1-11-9-23-15(12(2)20-11)8-17(21-23)24-10-14-7-16(25-18(14)22-24)13-3-5-19-6-4-13/h7-10,13,19H,3-6H2,1-2H3
InChIKeyNJHFXDFFWIIWDT-UHFFFAOYSA-N
MW352.47 g/mol
LogP3.21
Rot. Bonds2

About 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole (PubChem CID 162433241) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole.

Molecular Properties

Compound Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole
PubChem CID162433241
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole
SMILESCc1cn2nc(-n3cc4cc(C5CCNCC5)sc4n3)cc2c(C)n1
InChIInChI=1S/C18H20N6S/c1-11-9-23-15(12(2)20-11)8-17(21-23)24-10-14-7-16(25-18(14)22-24)13-3-5-19-6-4-13/h7-10,13,19H,3-6H2,1-2H3
InChIKeyNJHFXDFFWIIWDT-UHFFFAOYSA-N
XLogP3.21
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole?
The IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole (CID 162433241) is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole.
What is the SMILES notation for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole?
The canonical SMILES for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole is Cc1cn2nc(-n3cc4cc(C5CCNCC5)sc4n3)cc2c(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole?
The InChIKey is NJHFXDFFWIIWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S/c1-11-9-23-15(12(2)20-11)8-17(21-23)24-10-14-7-16(25-18(14)22-24)13-3-5-19-6-4-13/h7-10,13,19H,3-6H2,1-2H3.
What are the key properties of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole?
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole has a molecular weight of 352.47 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole is sourced from PubChem (CID 162433241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).