3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

C17H17N7OS — CID 70711129

IUPAC3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESc1csc(Cc2nc(Cn3ccnc3-c3cc4n(n3)CCNC4)no2)c1
InChIInChI=1S/C17H17N7OS/c1-2-13(26-7-1)9-16-20-15(22-25-16)11-23-5-4-19-17(23)14-8-12-10-18-3-6-24(12)21-14/h1-2,4-5,7-8,18H,3,6,9-11H2
InChIKeyLFYQRIFLBIPUTH-UHFFFAOYSA-N
MW367.44 g/mol
LogP1.93
Rot. Bonds5

About 3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 70711129) has the molecular formula C17H17N7OS and a molecular weight of 367.44 g/mol. Its IUPAC name is 3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID70711129
Molecular FormulaC17H17N7OS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESc1csc(Cc2nc(Cn3ccnc3-c3cc4n(n3)CCNC4)no2)c1
InChIInChI=1S/C17H17N7OS/c1-2-13(26-7-1)9-16-20-15(22-25-16)11-23-5-4-19-17(23)14-8-12-10-18-3-6-24(12)21-14/h1-2,4-5,7-8,18H,3,6,9-11H2
InChIKeyLFYQRIFLBIPUTH-UHFFFAOYSA-N
XLogP1.93
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 70777947
5-benzyl-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 154893561
3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 70712268
3-benzyl-5-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole;dihydrochloride
CID 154895537
5-(2-methoxyethyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 154893308
3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 70708546
2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70709789
4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine
CID 146040951
5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115918016
2-[1-[(2-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154894352
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70768659
4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
CID 56910784

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (CID 70711129) is 3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is c1csc(Cc2nc(Cn3ccnc3-c3cc4n(n3)CCNC4)no2)c1.
What is the InChIKey of 3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is LFYQRIFLBIPUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7OS/c1-2-13(26-7-1)9-16-20-15(22-25-16)11-23-5-4-19-17(23)14-8-12-10-18-3-6-24(12)21-14/h1-2,4-5,7-8,18H,3,6,9-11H2.
What are the key properties of 3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 367.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 70711129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).