(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione

C23H17N5O5 — CID 91542439

IUPAC(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(C#Cc4cnc5[nH]c(=O)ccc5c4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C23H17N5O5/c1-33-16-4-2-15-11-28(20(30)17(15)9-16)12-23(21(31)26-22(32)27-23)7-6-13-8-14-3-5-18(29)25-19(14)24-10-13/h2-5,8-11,30H,12H2,1H3,(H,24,25,29)(H2,26,27,31,32)/t23-/m1/s1
InChIKeyLBQFPRLBEBAHBA-HSZRJFAPSA-N
MW443.42 g/mol
LogP1.22
Rot. Bonds3

About (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione

(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione (PubChem CID 91542439) has the molecular formula C23H17N5O5 and a molecular weight of 443.42 g/mol. Its IUPAC name is (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione
PubChem CID91542439
Molecular FormulaC23H17N5O5
Molecular Weight443.42 g/mol
Exact Mass443.12
IUPAC Name(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(C#Cc4cnc5[nH]c(=O)ccc5c4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C23H17N5O5/c1-33-16-4-2-15-11-28(20(30)17(15)9-16)12-23(21(31)26-22(32)27-23)7-6-13-8-14-3-5-18(29)25-19(14)24-10-13/h2-5,8-11,30H,12H2,1H3,(H,24,25,29)(H2,26,27,31,32)/t23-/m1/s1
InChIKeyLBQFPRLBEBAHBA-HSZRJFAPSA-N
XLogP1.22
TPSA138.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-fluorophenyl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90733972
(5R)-5-[2-(3,5-dichlorophenyl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91520006
2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile
CID 91120510
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione
CID 91507011
4-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzoic acid
CID 90980933
N-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide
CID 90971085
(5R)-5-[2-(1-hydroxy-2H-isoindol-5-yl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91049606
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(2-methylindazol-6-yl)ethynyl]imidazolidine-2,4-dione
CID 91044443
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(2-methyl-1-benzofuran-5-yl)ethynyl]imidazolidine-2,4-dione
CID 91480768
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-[5-(2-methylimidazol-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
CID 90956074
(5S)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90890555
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-[4-(nitrosomethyl)phenyl]ethynyl]imidazolidine-2,4-dione
CID 90970493

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione (CID 91542439) is (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione is COc1ccc2cn(C[C@@]3(C#Cc4cnc5[nH]c(=O)ccc5c4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione?
The InChIKey is LBQFPRLBEBAHBA-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H17N5O5/c1-33-16-4-2-15-11-28(20(30)17(15)9-16)12-23(21(31)26-22(32)27-23)7-6-13-8-14-3-5-18(29)25-19(14)24-10-13/h2-5,8-11,30H,12H2,1H3,(H,24,25,29)(H2,26,27,31,32)/t23-/m1/s1.
What are the key properties of (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione?
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 443.42 g/mol, XLogP of 1.22, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91542439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).