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

C60H54F6N8O13 — CID 159605390

IUPAC8-[(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
SMILESCC(C)OC(=O)c1ncccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C1.CC(C)OC(=O)c1ncccc1C(=O)O.O=C1CN(C(=O)C(F)(F)F)CC1Cc1ccc(F)cc1.O=C1c2c(O)c3ncccc3c(=O)n2CN1Cc1ccc(F)cc1
InChIInChI=1S/C20H20FN3O4.C17H12FN3O3.C13H11F4NO2.C10H11NO4/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;14-10-3-1-8(2-4-10)5-9-6-18(7-11(9)19)12(20)13(15,16)17;1-6(2)15-10(14)8-7(9(12)13)4-3-5-11-8/h3-9,13H,10-12H2,1-2H3;1-7,22H,8-9H2;1-4,9H,5-7H2;3-6H,1-2H3,(H,12,13)
InChIKeyMMAAMEZMHMFNKD-UHFFFAOYSA-N
MW1209.12 g/mol
LogP7.39
Rot. Bonds12

About 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

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 (PubChem CID 159605390) has the molecular formula C60H54F6N8O13 and a molecular weight of 1209.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[(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
PubChem CID159605390
Molecular FormulaC60H54F6N8O13
Molecular Weight1209.12 g/mol
Exact Mass1208.37
IUPAC Name8-[(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
SMILESCC(C)OC(=O)c1ncccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C1.CC(C)OC(=O)c1ncccc1C(=O)O.O=C1CN(C(=O)C(F)(F)F)CC1Cc1ccc(F)cc1.O=C1c2c(O)c3ncccc3c(=O)n2CN1Cc1ccc(F)cc1
InChIInChI=1S/C20H20FN3O4.C17H12FN3O3.C13H11F4NO2.C10H11NO4/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;14-10-3-1-8(2-4-10)5-9-6-18(7-11(9)19)12(20)13(15,16)17;1-6(2)15-10(14)8-7(9(12)13)4-3-5-11-8/h3-9,13H,10-12H2,1-2H3;1-7,22H,8-9H2;1-4,9H,5-7H2;3-6H,1-2H3,(H,12,13)
InChIKeyMMAAMEZMHMFNKD-UHFFFAOYSA-N
XLogP7.39
TPSA269.11 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001209.12
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

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
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;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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)OC(=O)c1ncccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C1.CC(C)OC(=O)c1ncccc1C(=O)O.O=C1CN(C(=O)C(F)(F)F)CC1Cc1ccc(F)cc1.O=C1c2c(O)c3ncccc3c(=O)n2CN1Cc1ccc(F)cc1.
What is the InChIKey of 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?
The InChIKey is MMAAMEZMHMFNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4.C17H12FN3O3.C13H11F4NO2.C10H11NO4/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;14-10-3-1-8(2-4-10)5-9-6-18(7-11(9)19)12(20)13(15,16)17;1-6(2)15-10(14)8-7(9(12)13)4-3-5-11-8/h3-9,13H,10-12H2,1-2H3;1-7,22H,8-9H2;1-4,9H,5-7H2;3-6H,1-2H3,(H,12,13).
What are the key properties of 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?
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 has a molecular weight of 1209.12 g/mol, XLogP of 7.39, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159605390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).