(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione

C21H23N5O4 — CID 143510448

IUPAC(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)CN(C[C@@]1(c3cnn(C4CCC4)c3)NC(=O)NC1=O)C2
InChIInChI=1S/C21H23N5O4/c1-30-16-6-5-13-9-25(11-18(27)17(13)7-16)12-21(19(28)23-20(29)24-21)14-8-22-26(10-14)15-3-2-4-15/h5-8,10,15H,2-4,9,11-12H2,1H3,(H2,23,24,28,29)/t21-/m0/s1
InChIKeyPIFKBZYYMAIOLA-NRFANRHFSA-N
MW409.45 g/mol
LogP1.35
Rot. Bonds5

About (5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione

(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 143510448) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is (5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID143510448
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)CN(C[C@@]1(c3cnn(C4CCC4)c3)NC(=O)NC1=O)C2
InChIInChI=1S/C21H23N5O4/c1-30-16-6-5-13-9-25(11-18(27)17(13)7-16)12-21(19(28)23-20(29)24-21)14-8-22-26(10-14)15-3-2-4-15/h5-8,10,15H,2-4,9,11-12H2,1H3,(H2,23,24,28,29)/t21-/m0/s1
InChIKeyPIFKBZYYMAIOLA-NRFANRHFSA-N
XLogP1.35
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 46881522
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143512854
(5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 11717287
(5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 158970681
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione
CID 24889697
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione
CID 71176706
N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide
CID 70889587
5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 126748420
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione
CID 24888848
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione
CID 90994832
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 24889700
5-[4-[1-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 76566442

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione (CID 143510448) is (5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)CN(C[C@@]1(c3cnn(C4CCC4)c3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is PIFKBZYYMAIOLA-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-30-16-6-5-13-9-25(11-18(27)17(13)7-16)12-21(19(28)23-20(29)24-21)14-8-22-26(10-14)15-3-2-4-15/h5-8,10,15H,2-4,9,11-12H2,1H3,(H2,23,24,28,29)/t21-/m0/s1.
What are the key properties of (5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 409.45 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(6-methoxy-4-oxo-1,3-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143510448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).