sodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate

C38H35F2N6NaO8 — CID 159875439

IUPACsodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ncccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C1.C[O-].O=C1c2c(O)c3ncccc3c(=O)n2CN1Cc1ccc(F)cc1.[Na+]
InChIInChI=1S/C20H20FN3O4.C17H12FN3O3.CH3O.Na/c1-13(2)28-20(27)18-16(4-3-9-22-18)19(26)24-11-17(25)23(12-24)10-14-5-7-15(21)8-6-14;18-11-5-3-10(4-6-11)8-20-9-21-14(17(20)24)15(22)13-12(16(21)23)2-1-7-19-13;1-2;/h3-9,13H,10-12H2,1-2H3;1-7,22H,8-9H2;1H3;/q;;-1;+1
InChIKeyNSVQGKBUWUSYHF-UHFFFAOYSA-N
MW764.72 g/mol
LogP0.06
Rot. Bonds7

About sodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate

sodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate (PubChem CID 159875439) has the molecular formula C38H35F2N6NaO8 and a molecular weight of 764.72 g/mol. Its IUPAC name is sodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namesodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate
PubChem CID159875439
Molecular FormulaC38H35F2N6NaO8
Molecular Weight764.72 g/mol
Exact Mass764.24
IUPAC Namesodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ncccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C1.C[O-].O=C1c2c(O)c3ncccc3c(=O)n2CN1Cc1ccc(F)cc1.[Na+]
InChIInChI=1S/C20H20FN3O4.C17H12FN3O3.CH3O.Na/c1-13(2)28-20(27)18-16(4-3-9-22-18)19(26)24-11-17(25)23(12-24)10-14-5-7-15(21)8-6-14;18-11-5-3-10(4-6-11)8-20-9-21-14(17(20)24)15(22)13-12(16(21)23)2-1-7-19-13;1-2;/h3-9,13H,10-12H2,1-2H3;1-7,22H,8-9H2;1H3;/q;;-1;+1
InChIKeyNSVQGKBUWUSYHF-UHFFFAOYSA-N
XLogP0.06
TPSA178.30 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.72
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze sodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate
CID 58000081
3-[4-(4-Fluoro-benzyl)-3,5-dioxo-piperazine-1-carbonyl]-pyridine-2-carboxylic Acid Isopropyl Ester
CID 58928875
3-[4-(4-Fluoro-benzyl)-3-oxo-piperazine-1-carbonyl]-pyridine-2-carboxylic Acid Isopropyl Ester
CID 58928880
8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;3-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroacetyl)imidazolidin-4-one;propan-2-yl 4-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-3-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
CID 157126950
5-[(4-Fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;3-methyl-1-(2,2,2-trifluoroacetyl)imidazolidin-4-one;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate
CID 159140325
8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;4-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-one;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
CID 159605390
3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate
CID 158092492
Sodium;bis(3-[(4-fluorophenyl)methyl]-11-hydroxy-9-methyl-7,8-dihydropyrazino[1,2-g][1,6]naphthyridine-5,10-dione);methanolate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(4-methyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylate
CID 160394355

Frequently Asked Questions

What is the IUPAC name of sodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate?
The IUPAC name of sodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate (CID 159875439) is sodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate.
What is the SMILES notation for sodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate?
The canonical SMILES for sodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate is CC(C)OC(=O)c1ncccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C1.C[O-].O=C1c2c(O)c3ncccc3c(=O)n2CN1Cc1ccc(F)cc1.[Na+].
What is the InChIKey of sodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate?
The InChIKey is NSVQGKBUWUSYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4.C17H12FN3O3.CH3O.Na/c1-13(2)28-20(27)18-16(4-3-9-22-18)19(26)24-11-17(25)23(12-24)10-14-5-7-15(21)8-6-14;18-11-5-3-10(4-6-11)8-20-9-21-14(17(20)24)15(22)13-12(16(21)23)2-1-7-19-13;1-2;/h3-9,13H,10-12H2,1-2H3;1-7,22H,8-9H2;1H3;/q;;-1;+1.
What are the key properties of sodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate?
sodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate has a molecular weight of 764.72 g/mol, XLogP of 0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;8-[(4-fluorophenyl)methyl]-10-hydroxy-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;methanolate;propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate is sourced from PubChem (CID 159875439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).