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

C59H53F6N9O13 — CID 157126950

IUPAC8-[(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
SMILESCC(C)OC(=O)c1cnccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C1.CC(C)OC(=O)c1ncccc1C(=O)O.O=C1CN(C(=O)C(F)(F)F)CN1Cc1ccc(F)cc1.O=C1c2c(O)c3ncccc3c(=O)n2CN1Cc1ccc(F)cc1
InChIInChI=1S/C20H20FN3O4.C17H12FN3O3.C12H10F4N2O2.C10H11NO4/c1-13(2)28-20(27)17-9-22-8-7-16(17)19(26)24-11-18(25)23(12-24)10-14-3-5-15(21)6-4-14;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;13-9-3-1-8(2-4-9)5-17-7-18(6-10(17)19)11(20)12(14,15)16;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;1-4H,5-7H2;3-6H,1-2H3,(H,12,13)
InChIKeyAIPPXEJARNBICM-UHFFFAOYSA-N
MW1210.11 g/mol
LogP6.94
Rot. Bonds12

About 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

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 (PubChem CID 157126950) has the molecular formula C59H53F6N9O13 and a molecular weight of 1210.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[(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
PubChem CID157126950
Molecular FormulaC59H53F6N9O13
Molecular Weight1210.11 g/mol
Exact Mass1209.37
IUPAC Name8-[(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
SMILESCC(C)OC(=O)c1cnccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C1.CC(C)OC(=O)c1ncccc1C(=O)O.O=C1CN(C(=O)C(F)(F)F)CN1Cc1ccc(F)cc1.O=C1c2c(O)c3ncccc3c(=O)n2CN1Cc1ccc(F)cc1
InChIInChI=1S/C20H20FN3O4.C17H12FN3O3.C12H10F4N2O2.C10H11NO4/c1-13(2)28-20(27)17-9-22-8-7-16(17)19(26)24-11-18(25)23(12-24)10-14-3-5-15(21)6-4-14;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;13-9-3-1-8(2-4-9)5-17-7-18(6-10(17)19)11(20)12(14,15)16;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;1-4H,5-7H2;3-6H,1-2H3,(H,12,13)
InChIKeyAIPPXEJARNBICM-UHFFFAOYSA-N
XLogP6.94
TPSA272.35 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001210.11
LogP ≤ 56.94
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;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 with MolForge

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Related Compounds

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
Sodium;1-(bromomethyl)-4-fluorobenzene;tert-butyl 4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydropyrazino[1,2-g][1,6]naphthyridine-5,10-dione;1-[(4-fluorophenyl)methyl]piperazin-2-one;methane;methanolate;piperazin-2-one;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
CID 161471206
Sodium;1-(bromomethyl)-4-fluorobenzene;tert-butyl 4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydropyrazino[1,2-g][1,6]naphthyridine-5,10-dione;1-[(4-fluorophenyl)methyl]piperazin-2-one;methanolate;piperazin-2-one;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
CID 161486227
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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)OC(=O)c1cnccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C1.CC(C)OC(=O)c1ncccc1C(=O)O.O=C1CN(C(=O)C(F)(F)F)CN1Cc1ccc(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;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?
The InChIKey is AIPPXEJARNBICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4.C17H12FN3O3.C12H10F4N2O2.C10H11NO4/c1-13(2)28-20(27)17-9-22-8-7-16(17)19(26)24-11-18(25)23(12-24)10-14-3-5-15(21)6-4-14;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;13-9-3-1-8(2-4-9)5-17-7-18(6-10(17)19)11(20)12(14,15)16;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;1-4H,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;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?
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 has a molecular weight of 1210.11 g/mol, XLogP of 6.94, 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;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 is sourced from PubChem (CID 157126950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).