2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one

C20H19N5O4 — CID 91119822

IUPAC2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one
SMILESCc1noc(C)c1Cn1cc(-n2c(O)c3n(c2=O)Cc2cc(O)ccc2C3)cn1
InChIInChI=1S/C20H19N5O4/c1-11-17(12(2)29-22-11)10-23-9-15(7-21-23)25-19(27)18-6-13-3-4-16(26)5-14(13)8-24(18)20(25)28/h3-5,7,9,26-27H,6,8,10H2,1-2H3
InChIKeyRZXHYSQBVOIFOZ-UHFFFAOYSA-N
MW393.40 g/mol
LogP1.85
Rot. Bonds3

About 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one (PubChem CID 91119822) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one
PubChem CID91119822
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one
SMILESCc1noc(C)c1Cn1cc(-n2c(O)c3n(c2=O)Cc2cc(O)ccc2C3)cn1
InChIInChI=1S/C20H19N5O4/c1-11-17(12(2)29-22-11)10-23-9-15(7-21-23)25-19(27)18-6-13-3-4-16(26)5-14(13)8-24(18)20(25)28/h3-5,7,9,26-27H,6,8,10H2,1-2H3
InChIKeyRZXHYSQBVOIFOZ-UHFFFAOYSA-N
XLogP1.85
TPSA111.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one with MolForge

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Related Compounds

7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one
CID 90852154
8-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one
CID 91540816
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]imidazolidine-2,4-dione
CID 57422433
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one
CID 91581648
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidine-2,4-dione
CID 57422470
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one
CID 91113462
(2E)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(hydroxymethylidene)-1-[(4-hydroxyphenyl)methyl]imidazolidin-4-one
CID 173464433
1-[(2-aminophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one
CID 91192572
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-[4-(3-fluorophenyl)butyl]pyrrole-2,5-diol
CID 123342771
3,5-dimethyl-4-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 71981003
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)-1-[(3-hydroxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 53375056
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylideneimidazolidin-4-one
CID 118075109

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one?
The IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one (CID 91119822) is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one is Cc1noc(C)c1Cn1cc(-n2c(O)c3n(c2=O)Cc2cc(O)ccc2C3)cn1.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one?
The InChIKey is RZXHYSQBVOIFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-11-17(12(2)29-22-11)10-23-9-15(7-21-23)25-19(27)18-6-13-3-4-16(26)5-14(13)8-24(18)20(25)28/h3-5,7,9,26-27H,6,8,10H2,1-2H3.
What are the key properties of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one?
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one has a molecular weight of 393.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,7-dihydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one is sourced from PubChem (CID 91119822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).