6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride

C16H15ClN6O2 — CID 154894085

IUPAC6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c2ccc(-n3ccnc3-c3cc4n(n3)CCNC4)cc2o1
InChIInChI=1S/C16H14N6O2.ClH/c23-16-19-12-2-1-10(8-14(12)24-16)21-5-4-18-15(21)13-7-11-9-17-3-6-22(11)20-13;/h1-2,4-5,7-8,17H,3,6,9H2,(H,19,23);1H
InChIKeyZEWXENBOROLGEB-UHFFFAOYSA-N
MW358.79 g/mol
LogP1.70
Rot. Bonds2

About 6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride

6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride (PubChem CID 154894085) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is 6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride.

Molecular Properties

Compound Name6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride
PubChem CID154894085
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c2ccc(-n3ccnc3-c3cc4n(n3)CCNC4)cc2o1
InChIInChI=1S/C16H14N6O2.ClH/c23-16-19-12-2-1-10(8-14(12)24-16)21-5-4-18-15(21)13-7-11-9-17-3-6-22(11)20-13;/h1-2,4-5,7-8,17H,3,6,9H2,(H,19,23);1H
InChIKeyZEWXENBOROLGEB-UHFFFAOYSA-N
XLogP1.70
TPSA93.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride with MolForge

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Related Compounds

1-[2-methyl-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]phenyl]pyrrolidin-2-one;hydrochloride
CID 154894027
2-[1-(9H-fluoren-2-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 154894546
2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 154893483
2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56883632
2-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70732336
methyl 4-methoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]benzoate
CID 70781917
N-phenyl-5-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]pyridin-2-amine;hydrochloride
CID 154894176
2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70759636
2-[1-(3-methylsulfanylphenyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70765573
5-methoxy-6-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 154894726
2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56918787
2-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]phenyl]-1,3,4-thiadiazole
CID 70754023

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride?
The IUPAC name of 6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride (CID 154894085) is 6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride.
What is the SMILES notation for 6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride?
The canonical SMILES for 6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride is Cl.O=c1[nH]c2ccc(-n3ccnc3-c3cc4n(n3)CCNC4)cc2o1.
What is the InChIKey of 6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride?
The InChIKey is ZEWXENBOROLGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2.ClH/c23-16-19-12-2-1-10(8-14(12)24-16)21-5-4-18-15(21)13-7-11-9-17-3-6-22(11)20-13;/h1-2,4-5,7-8,17H,3,6,9H2,(H,19,23);1H.
What are the key properties of 6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride?
6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride has a molecular weight of 358.79 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride is sourced from PubChem (CID 154894085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).