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

C16H22ClN7O2 — CID 154893308

IUPAC5-(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
SMILESCOCCc1nc(Cn2ccnc2-c2cc3n(n2)CCCNC3)no1.Cl
InChIInChI=1S/C16H21N7O2.ClH/c1-24-8-3-15-19-14(21-25-15)11-22-7-5-18-16(22)13-9-12-10-17-4-2-6-23(12)20-13;/h5,7,9,17H,2-4,6,8,10-11H2,1H3;1H
InChIKeyZKWJEPIKIUJHRM-UHFFFAOYSA-N
MW379.85 g/mol
LogP1.28
Rot. Bonds6

About 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

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 (PubChem CID 154893308) has the molecular formula C16H22ClN7O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID154893308
Molecular FormulaC16H22ClN7O2
Molecular Weight379.85 g/mol
Exact Mass379.15
IUPAC Name5-(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
SMILESCOCCc1nc(Cn2ccnc2-c2cc3n(n2)CCCNC3)no1.Cl
InChIInChI=1S/C16H21N7O2.ClH/c1-24-8-3-15-19-14(21-25-15)11-22-7-5-18-16(22)13-9-12-10-17-4-2-6-23(12)20-13;/h5,7,9,17H,2-4,6,8,10-11H2,1H3;1H
InChIKeyZKWJEPIKIUJHRM-UHFFFAOYSA-N
XLogP1.28
TPSA95.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
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-[[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
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-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70768659
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
4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
CID 56910784
3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 70708546
3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]pyrrolidin-3-ol;dihydrochloride
CID 163334095
2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154893996
2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56910958

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCc1nc(Cn2ccnc2-c2cc3n(n2)CCCNC3)no1.Cl.
What is the InChIKey of 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?
The InChIKey is ZKWJEPIKIUJHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2.ClH/c1-24-8-3-15-19-14(21-25-15)11-22-7-5-18-16(22)13-9-12-10-17-4-2-6-23(12)20-13;/h5,7,9,17H,2-4,6,8,10-11H2,1H3;1H.
What are the key properties of 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?
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 has a molecular weight of 379.85 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154893308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).