dicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate

C59H53Cs2F2N9O9 — CID 158008991

IUPACdicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate
SMILESFc1ccccc1-c1cc(-c2ccc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1.O=CO[O-].O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12.OCCN1CCOCC1.[Cs+].[Cs+].[H-]
InChIInChI=1S/C29H25FN4O2.C23H13FN4O2.C6H13NO2.CH2O3.2Cs.H/c30-26-6-2-1-4-23(26)27-18-24(22-5-3-10-32-29(22)33-27)20-7-8-28(25-19-31-11-9-21(20)25)36-17-14-34-12-15-35-16-13-34;24-20-6-2-1-4-17(20)21-12-18(16-5-3-10-26-23(16)27-21)14-7-8-22(28(29)30)19-13-25-11-9-15(14)19;8-4-1-7-2-5-9-6-3-7;2-1-4-3;;;/h1-11,18-19H,12-17H2;1-13H;8H,1-6H2;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyPYMLERNOHWEQOE-UHFFFAOYSA-M
MW1335.93 g/mol
LogP2.79
Rot. Bonds12

About dicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate

dicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate (PubChem CID 158008991) has the molecular formula C59H53Cs2F2N9O9 and a molecular weight of 1335.93 g/mol. Its IUPAC name is dicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate.

Molecular Properties

Compound Namedicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate
PubChem CID158008991
Molecular FormulaC59H53Cs2F2N9O9
Molecular Weight1335.93 g/mol
Exact Mass1335.20
IUPAC Namedicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate
SMILESFc1ccccc1-c1cc(-c2ccc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1.O=CO[O-].O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12.OCCN1CCOCC1.[Cs+].[Cs+].[H-]
InChIInChI=1S/C29H25FN4O2.C23H13FN4O2.C6H13NO2.CH2O3.2Cs.H/c30-26-6-2-1-4-23(26)27-18-24(22-5-3-10-32-29(22)33-27)20-7-8-28(25-19-31-11-9-21(20)25)36-17-14-34-12-15-35-16-13-34;24-20-6-2-1-4-17(20)21-12-18(16-5-3-10-26-23(16)27-21)14-7-8-22(28(29)30)19-13-25-11-9-15(14)19;8-4-1-7-2-5-9-6-3-7;2-1-4-3;;;/h1-11,18-19H,12-17H2;1-13H;8H,1-6H2;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyPYMLERNOHWEQOE-UHFFFAOYSA-M
XLogP2.79
TPSA224.24 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001335.93
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate 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 dicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate?
The IUPAC name of dicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate (CID 158008991) is dicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate.
What is the SMILES notation for dicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate?
The canonical SMILES for dicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate is Fc1ccccc1-c1cc(-c2ccc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1.O=CO[O-].O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12.OCCN1CCOCC1.[Cs+].[Cs+].[H-].
What is the InChIKey of dicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate?
The InChIKey is PYMLERNOHWEQOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H25FN4O2.C23H13FN4O2.C6H13NO2.CH2O3.2Cs.H/c30-26-6-2-1-4-23(26)27-18-24(22-5-3-10-32-29(22)33-27)20-7-8-28(25-19-31-11-9-21(20)25)36-17-14-34-12-15-35-16-13-34;24-20-6-2-1-4-17(20)21-12-18(16-5-3-10-26-23(16)27-21)14-7-8-22(28(29)30)19-13-25-11-9-15(14)19;8-4-1-7-2-5-9-6-3-7;2-1-4-3;;;/h1-11,18-19H,12-17H2;1-13H;8H,1-6H2;1,3H;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate?
dicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate has a molecular weight of 1335.93 g/mol, XLogP of 2.79, 12 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine;2-(2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;hydride;2-morpholin-4-ylethanol;oxido formate is sourced from PubChem (CID 158008991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).