(5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C30H25F2N5O4 — CID 46198868

IUPAC(5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(CN4CCc5ccc(F)cc5C4)nc3)NC(=O)NC1=O)C2
InChIInChI=1S/C30H25F2N5O4/c1-41-24-7-4-20-15-37(27(38)25(20)26(24)32)17-30(28(39)34-29(40)35-30)10-8-18-2-6-23(33-13-18)16-36-11-9-19-3-5-22(31)12-21(19)14-36/h2-7,12-13H,9,11,14-17H2,1H3,(H2,34,35,39,40)/t30-/m1/s1
InChIKeyJXUJWTDWBHFDPM-SSEXGKCCSA-N
MW557.56 g/mol
LogP2.51
Rot. Bonds5

About (5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46198868) has the molecular formula C30H25F2N5O4 and a molecular weight of 557.56 g/mol. Its IUPAC name is (5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID46198868
Molecular FormulaC30H25F2N5O4
Molecular Weight557.56 g/mol
Exact Mass557.19
IUPAC Name(5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(CN4CCc5ccc(F)cc5C4)nc3)NC(=O)NC1=O)C2
InChIInChI=1S/C30H25F2N5O4/c1-41-24-7-4-20-15-37(27(38)25(20)26(24)32)17-30(28(39)34-29(40)35-30)10-8-18-2-6-23(33-13-18)16-36-11-9-19-3-5-22(31)12-21(19)14-36/h2-7,12-13H,9,11,14-17H2,1H3,(H2,34,35,39,40)/t30-/m1/s1
InChIKeyJXUJWTDWBHFDPM-SSEXGKCCSA-N
XLogP2.51
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.56
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione 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 (5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 46198868) is (5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(CN4CCc5ccc(F)cc5C4)nc3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is JXUJWTDWBHFDPM-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H25F2N5O4/c1-41-24-7-4-20-15-37(27(38)25(20)26(24)32)17-30(28(39)34-29(40)35-30)10-8-18-2-6-23(33-13-18)16-36-11-9-19-3-5-22(31)12-21(19)14-36/h2-7,12-13H,9,11,14-17H2,1H3,(H2,34,35,39,40)/t30-/m1/s1.
What are the key properties of (5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 557.56 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[6-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridinyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46198868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).