3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole

C18H18N8O — CID 95867987

IUPAC3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESC[C@H](c1nc(-c2ccccn2)no1)n1ccnc1-c1cc2n(n1)CCNC2
InChIInChI=1S/C18H18N8O/c1-12(18-22-16(24-27-18)14-4-2-3-5-20-14)25-8-7-21-17(25)15-10-13-11-19-6-9-26(13)23-15/h2-5,7-8,10,12,19H,6,9,11H2,1H3/t12-/m1/s1
InChIKeyMLISDGUTUFXRLW-GFCCVEGCSA-N
MW362.40 g/mol
LogP1.90
Rot. Bonds4

About 3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole

3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 95867987) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID95867987
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESC[C@H](c1nc(-c2ccccn2)no1)n1ccnc1-c1cc2n(n1)CCNC2
InChIInChI=1S/C18H18N8O/c1-12(18-22-16(24-27-18)14-4-2-3-5-20-14)25-8-7-21-17(25)15-10-13-11-19-6-9-26(13)23-15/h2-5,7-8,10,12,19H,6,9,11H2,1H3/t12-/m1/s1
InChIKeyMLISDGUTUFXRLW-GFCCVEGCSA-N
XLogP1.90
TPSA99.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 95872827
5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
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CID 95876020
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
(2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
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3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
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3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
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5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 154893385
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
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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

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole (CID 95867987) is 3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole is C[C@H](c1nc(-c2ccccn2)no1)n1ccnc1-c1cc2n(n1)CCNC2.
What is the InChIKey of 3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is MLISDGUTUFXRLW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N8O/c1-12(18-22-16(24-27-18)14-4-2-3-5-20-14)25-8-7-21-17(25)15-10-13-11-19-6-9-26(13)23-15/h2-5,7-8,10,12,19H,6,9,11H2,1H3/t12-/m1/s1.
What are the key properties of 3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole?
3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 362.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95867987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).