2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile

C24H17N7O4 — CID 91120510

IUPAC2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile
SMILESCOc1ccc2cn(C[C@@]3(C#Cc4cnc5nc(N)c(C#N)cc5c4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C24H17N7O4/c1-35-17-3-2-14-11-31(21(32)18(14)8-17)12-24(22(33)29-23(34)30-24)5-4-13-6-15-7-16(9-25)19(26)28-20(15)27-10-13/h2-3,6-8,10-11,32H,12H2,1H3,(H2,26,27,28)(H2,29,30,33,34)/t24-/m1/s1
InChIKeyCYOWFUXEZOXTMP-XMMPIXPASA-N
MW467.45 g/mol
LogP1.38
Rot. Bonds3

About 2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile

2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile (PubChem CID 91120510) has the molecular formula C24H17N7O4 and a molecular weight of 467.45 g/mol. Its IUPAC name is 2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile
PubChem CID91120510
Molecular FormulaC24H17N7O4
Molecular Weight467.45 g/mol
Exact Mass467.13
IUPAC Name2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile
SMILESCOc1ccc2cn(C[C@@]3(C#Cc4cnc5nc(N)c(C#N)cc5c4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C24H17N7O4/c1-35-17-3-2-14-11-31(21(32)18(14)8-17)12-24(22(33)29-23(34)30-24)5-4-13-6-15-7-16(9-25)19(26)28-20(15)27-10-13/h2-3,6-8,10-11,32H,12H2,1H3,(H2,26,27,28)(H2,29,30,33,34)/t24-/m1/s1
InChIKeyCYOWFUXEZOXTMP-XMMPIXPASA-N
XLogP1.38
TPSA168.18 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(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
2-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile
CID 91543401
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
(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
4-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzoic acid
CID 90980933
(5R)-5-[2-[4-[(1S)-1-aminoethyl]phenyl]ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91432973
(5R)-5-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91208821
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]imidazolidine-2,4-dione
CID 90968750
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(2-methylindazol-6-yl)ethynyl]imidazolidine-2,4-dione
CID 91044443
(5R)-5-[2-(1-hydroxy-2H-isoindol-5-yl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91049606
5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]isoindole-1,3-dione
CID 91369345

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 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) is 2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile is COc1ccc2cn(C[C@@]3(C#Cc4cnc5nc(N)c(C#N)cc5c4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of 2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile?
The InChIKey is CYOWFUXEZOXTMP-XMMPIXPASA-N. The full InChI is InChI=1S/C24H17N7O4/c1-35-17-3-2-14-11-31(21(32)18(14)8-17)12-24(22(33)29-23(34)30-24)5-4-13-6-15-7-16(9-25)19(26)28-20(15)27-10-13/h2-3,6-8,10-11,32H,12H2,1H3,(H2,26,27,28)(H2,29,30,33,34)/t24-/m1/s1.
What are the key properties of 2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile?
2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile has a molecular weight of 467.45 g/mol, XLogP of 1.38, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 91120510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).