bis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C123H120N22O13 — CID 158193997

IUPACbis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(c1ccccn1)N1CCn2nc(COc3ccccc3)cc2C1=O.CC1CN(Cc2ccccc2)C(=O)c2cc(COc3ccccc3)nn21.CC1CN(Cc2ccccc2)C(=O)c2cc(COc3ccccc3)nn21.COc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)n1.Cc1ccnc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1.N#Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1
InChIInChI=1S/C21H18N4O2.2C21H21N3O2.C20H20N4O3.2C20H20N4O2/c22-13-16-5-4-6-17(11-16)14-24-9-10-25-20(21(24)26)12-18(23-25)15-27-19-7-2-1-3-8-19;2*1-16-13-23(14-17-8-4-2-5-9-17)21(25)20-12-18(22-24(16)20)15-26-19-10-6-3-7-11-19;1-26-19-9-5-6-15(21-19)13-23-10-11-24-18(20(23)25)12-16(22-24)14-27-17-7-3-2-4-8-17;1-15(18-9-5-6-10-21-18)23-11-12-24-19(20(23)25)13-16(22-24)14-26-17-7-3-2-4-8-17;1-15-7-8-21-16(11-15)13-23-9-10-24-19(20(23)25)12-17(22-24)14-26-18-5-3-2-4-6-18/h1-8,11-12H,9-10,14-15H2;2*2-12,16H,13-15H2,1H3;2-9,12H,10-11,13-14H2,1H3;2-10,13,15H,11-12,14H2,1H3;2-8,11-12H,9-10,13-14H2,1H3
InChIKeyGACQQYNWKSHRJT-UHFFFAOYSA-N
MW2114.45 g/mol
LogP18.77
Rot. Bonds31

About bis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

bis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 158193997) has the molecular formula C123H120N22O13 and a molecular weight of 2114.45 g/mol. Its IUPAC name is bis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Namebis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID158193997
Molecular FormulaC123H120N22O13
Molecular Weight2114.45 g/mol
Exact Mass2112.94
IUPAC Namebis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(c1ccccn1)N1CCn2nc(COc3ccccc3)cc2C1=O.CC1CN(Cc2ccccc2)C(=O)c2cc(COc3ccccc3)nn21.CC1CN(Cc2ccccc2)C(=O)c2cc(COc3ccccc3)nn21.COc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)n1.Cc1ccnc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1.N#Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1
InChIInChI=1S/C21H18N4O2.2C21H21N3O2.C20H20N4O3.2C20H20N4O2/c22-13-16-5-4-6-17(11-16)14-24-9-10-25-20(21(24)26)12-18(23-25)15-27-19-7-2-1-3-8-19;2*1-16-13-23(14-17-8-4-2-5-9-17)21(25)20-12-18(22-24(16)20)15-26-19-10-6-3-7-11-19;1-26-19-9-5-6-15(21-19)13-23-10-11-24-18(20(23)25)12-16(22-24)14-27-17-7-3-2-4-8-17;1-15(18-9-5-6-10-21-18)23-11-12-24-19(20(23)25)13-16(22-24)14-26-17-7-3-2-4-8-17;1-15-7-8-21-16(11-15)13-23-9-10-24-19(20(23)25)12-17(22-24)14-26-18-5-3-2-4-6-18/h1-8,11-12H,9-10,14-15H2;2*2-12,16H,13-15H2,1H3;2-9,12H,10-11,13-14H2,1H3;2-10,13,15H,11-12,14H2,1H3;2-8,11-12H,9-10,13-14H2,1H3
InChIKeyGACQQYNWKSHRJT-UHFFFAOYSA-N
XLogP18.77
TPSA355.85 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds31
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002114.45
LogP ≤ 518.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze bis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of bis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 158193997) is bis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for bis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for bis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC(c1ccccn1)N1CCn2nc(COc3ccccc3)cc2C1=O.CC1CN(Cc2ccccc2)C(=O)c2cc(COc3ccccc3)nn21.CC1CN(Cc2ccccc2)C(=O)c2cc(COc3ccccc3)nn21.COc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)n1.Cc1ccnc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1.N#Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1.
What is the InChIKey of bis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GACQQYNWKSHRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2.2C21H21N3O2.C20H20N4O3.2C20H20N4O2/c22-13-16-5-4-6-17(11-16)14-24-9-10-25-20(21(24)26)12-18(23-25)15-27-19-7-2-1-3-8-19;2*1-16-13-23(14-17-8-4-2-5-9-17)21(25)20-12-18(22-24(16)20)15-26-19-10-6-3-7-11-19;1-26-19-9-5-6-15(21-19)13-23-10-11-24-18(20(23)25)12-16(22-24)14-27-17-7-3-2-4-8-17;1-15(18-9-5-6-10-21-18)23-11-12-24-19(20(23)25)13-16(22-24)14-26-17-7-3-2-4-8-17;1-15-7-8-21-16(11-15)13-23-9-10-24-19(20(23)25)12-17(22-24)14-26-18-5-3-2-4-6-18/h1-8,11-12H,9-10,14-15H2;2*2-12,16H,13-15H2,1H3;2-9,12H,10-11,13-14H2,1H3;2-10,13,15H,11-12,14H2,1H3;2-8,11-12H,9-10,13-14H2,1H3.
What are the key properties of bis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
bis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 2114.45 g/mol, XLogP of 18.77, 31 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(6-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-(1-pyridin-2-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 158193997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).