1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine

C17H21N5S — CID 110234049

IUPAC1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine
SMILESCc1ccc(CN2CCCC(c3nn(C)c4nccnc34)C2)s1
InChIInChI=1S/C17H21N5S/c1-12-5-6-14(23-12)11-22-9-3-4-13(10-22)15-16-17(21(2)20-15)19-8-7-18-16/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyWFTVKSRXOOPFRK-UHFFFAOYSA-N
MW327.46 g/mol
LogP3.11
Rot. Bonds3

About 1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine

1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine (PubChem CID 110234049) has the molecular formula C17H21N5S and a molecular weight of 327.46 g/mol. Its IUPAC name is 1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine
PubChem CID110234049
Molecular FormulaC17H21N5S
Molecular Weight327.46 g/mol
Exact Mass327.15
IUPAC Name1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine
SMILESCc1ccc(CN2CCCC(c3nn(C)c4nccnc34)C2)s1
InChIInChI=1S/C17H21N5S/c1-12-5-6-14(23-12)11-22-9-3-4-13(10-22)15-16-17(21(2)20-15)19-8-7-18-16/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyWFTVKSRXOOPFRK-UHFFFAOYSA-N
XLogP3.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine (CID 110234049) is 1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine is Cc1ccc(CN2CCCC(c3nn(C)c4nccnc34)C2)s1.
What is the InChIKey of 1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine?
The InChIKey is WFTVKSRXOOPFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5S/c1-12-5-6-14(23-12)11-22-9-3-4-13(10-22)15-16-17(21(2)20-15)19-8-7-18-16/h5-8,13H,3-4,9-11H2,1-2H3.
What are the key properties of 1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine?
1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine has a molecular weight of 327.46 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 110234049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).