6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one

C20H20N6O3S — CID 99752960

IUPAC6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cn2nc(-c3nc([C@@H]4CCCN(C(=O)c5sccc5C)C4)no3)cc2c(=O)[nH]1
InChIInChI=1S/C20H20N6O3S/c1-11-5-7-30-16(11)20(28)25-6-3-4-13(10-25)17-22-19(29-24-17)14-8-15-18(27)21-12(2)9-26(15)23-14/h5,7-9,13H,3-4,6,10H2,1-2H3,(H,21,27)/t13-/m1/s1
InChIKeyFZJUEGMNOUERPG-CYBMUJFWSA-N
MW424.49 g/mol
LogP2.77
Rot. Bonds3

About 6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one

6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 99752960) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is 6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID99752960
Molecular FormulaC20H20N6O3S
Molecular Weight424.49 g/mol
Exact Mass424.13
IUPAC Name6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cn2nc(-c3nc([C@@H]4CCCN(C(=O)c5sccc5C)C4)no3)cc2c(=O)[nH]1
InChIInChI=1S/C20H20N6O3S/c1-11-5-7-30-16(11)20(28)25-6-3-4-13(10-25)17-22-19(29-24-17)14-8-15-18(27)21-12(2)9-26(15)23-14/h5,7-9,13H,3-4,6,10H2,1-2H3,(H,21,27)/t13-/m1/s1
InChIKeyFZJUEGMNOUERPG-CYBMUJFWSA-N
XLogP2.77
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 99752960) is 6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1cn2nc(-c3nc([C@@H]4CCCN(C(=O)c5sccc5C)C4)no3)cc2c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is FZJUEGMNOUERPG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N6O3S/c1-11-5-7-30-16(11)20(28)25-6-3-4-13(10-25)17-22-19(29-24-17)14-8-15-18(27)21-12(2)9-26(15)23-14/h5,7-9,13H,3-4,6,10H2,1-2H3,(H,21,27)/t13-/m1/s1.
What are the key properties of 6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one?
6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 424.49 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 99752960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).