(4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate

C104H99BrF7N17O21 — CID 161177354

IUPAC(4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate
SMILESCC(=O)OC=O.CC1(C)OC(=O)C(=CCc2cncc(F)c2)C(=O)O1.CC1(C)OC(=O)CC(=O)O1.CC1(C)OC(=O)N(C2CCC(N)CC2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(NC(=O)c3ccnc4cc(F)cnc34)CC2)[C@H]1c1ccccc1.Fc1cnc2c(Br)ccnc2c1.Nc1cncc(F)c1.O=C(O)c1ccnc2cc(F)cnc12.O=C(O)c1ccnc2cc(F)cnc12.O=c1cc[nH]c2cc(F)cnc12
InChIInChI=1S/C26H27FN4O3.C17H24N2O2.C13H12FNO4.2C9H5FN2O2.C8H4BrFN2.C8H5FN2O.C6H8O4.C5H5FN2.C3H4O3/c1-26(2)23(16-6-4-3-5-7-16)31(25(33)34-26)19-10-8-18(9-11-19)30-24(32)20-12-13-28-21-14-17(27)15-29-22(20)21;1-17(2)15(12-6-4-3-5-7-12)19(16(20)21-17)14-10-8-13(18)9-11-14;1-13(2)18-11(16)10(12(17)19-13)4-3-8-5-9(14)7-15-6-8;2*10-5-3-7-8(12-4-5)6(9(13)14)1-2-11-7;9-6-1-2-11-7-3-5(10)4-12-8(6)7;9-5-3-6-8(11-4-5)7(12)1-2-10-6;1-6(2)9-4(7)3-5(8)10-6;6-4-1-5(7)3-8-2-4;1-3(5)6-2-4/h3-7,12-15,18-19,23H,8-11H2,1-2H3,(H,30,32);3-7,13-15H,8-11,18H2,1-2H3;4-7H,3H2,1-2H3;2*1-4H,(H,13,14);1-4H;1-4H,(H,10,12);3H2,1-2H3;1-3H,7H2;2H,1H3/t18?,19?,23-;13?,14?,15-;;;;;;;;/m00......../s1
InChIKeyURZKCRCZUNBCMJ-OLVZWSBCSA-N
MW2135.92 g/mol
LogP16.79
Rot. Bonds11

About (4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate

(4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate (PubChem CID 161177354) has the molecular formula C104H99BrF7N17O21 and a molecular weight of 2135.92 g/mol. Its IUPAC name is (4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate.

Molecular Properties

Compound Name(4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate
PubChem CID161177354
Molecular FormulaC104H99BrF7N17O21
Molecular Weight2135.92 g/mol
Exact Mass2133.63
IUPAC Name(4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate
SMILESCC(=O)OC=O.CC1(C)OC(=O)C(=CCc2cncc(F)c2)C(=O)O1.CC1(C)OC(=O)CC(=O)O1.CC1(C)OC(=O)N(C2CCC(N)CC2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(NC(=O)c3ccnc4cc(F)cnc34)CC2)[C@H]1c1ccccc1.Fc1cnc2c(Br)ccnc2c1.Nc1cncc(F)c1.O=C(O)c1ccnc2cc(F)cnc12.O=C(O)c1ccnc2cc(F)cnc12.O=c1cc[nH]c2cc(F)cnc12
InChIInChI=1S/C26H27FN4O3.C17H24N2O2.C13H12FNO4.2C9H5FN2O2.C8H4BrFN2.C8H5FN2O.C6H8O4.C5H5FN2.C3H4O3/c1-26(2)23(16-6-4-3-5-7-16)31(25(33)34-26)19-10-8-18(9-11-19)30-24(32)20-12-13-28-21-14-17(27)15-29-22(20)21;1-17(2)15(12-6-4-3-5-7-12)19(16(20)21-17)14-10-8-13(18)9-11-14;1-13(2)18-11(16)10(12(17)19-13)4-3-8-5-9(14)7-15-6-8;2*10-5-3-7-8(12-4-5)6(9(13)14)1-2-11-7;9-6-1-2-11-7-3-5(10)4-12-8(6)7;9-5-3-6-8(11-4-5)7(12)1-2-10-6;1-6(2)9-4(7)3-5(8)10-6;6-4-1-5(7)3-8-2-4;1-3(5)6-2-4/h3-7,12-15,18-19,23H,8-11H2,1-2H3,(H,30,32);3-7,13-15H,8-11,18H2,1-2H3;4-7H,3H2,1-2H3;2*1-4H,(H,13,14);1-4H;1-4H,(H,10,12);3H2,1-2H3;1-3H,7H2;2H,1H3/t18?,19?,23-;13?,14?,15-;;;;;;;;/m00......../s1
InChIKeyURZKCRCZUNBCMJ-OLVZWSBCSA-N
XLogP16.79
TPSA538.04 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds11
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002135.92
LogP ≤ 516.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate with MolForge

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Launch Full Analysis

Related Compounds

1-O-tert-butyl 8-O-propan-2-yl 5-[(4-fluorophenyl)methyl]-2-hydroxy-3,4-dihydro-2H-1,7-naphthyridine-1,8-dicarboxylate;ethyl 8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxylate;8-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 1-(3-ethoxy-3-oxopropanoyl)-5-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,7-naphthyridine-8-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate
CID 158545051
Ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 161691179
(4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-1,5-naphthyridine-4-carboxamide;1,5-naphthyridine-4-carboxylic acid
CID 161708465

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate?
The IUPAC name of (4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate (CID 161177354) is (4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate.
What is the SMILES notation for (4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate?
The canonical SMILES for (4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate is CC(=O)OC=O.CC1(C)OC(=O)C(=CCc2cncc(F)c2)C(=O)O1.CC1(C)OC(=O)CC(=O)O1.CC1(C)OC(=O)N(C2CCC(N)CC2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(NC(=O)c3ccnc4cc(F)cnc34)CC2)[C@H]1c1ccccc1.Fc1cnc2c(Br)ccnc2c1.Nc1cncc(F)c1.O=C(O)c1ccnc2cc(F)cnc12.O=C(O)c1ccnc2cc(F)cnc12.O=c1cc[nH]c2cc(F)cnc12.
What is the InChIKey of (4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate?
The InChIKey is URZKCRCZUNBCMJ-OLVZWSBCSA-N. The full InChI is InChI=1S/C26H27FN4O3.C17H24N2O2.C13H12FNO4.2C9H5FN2O2.C8H4BrFN2.C8H5FN2O.C6H8O4.C5H5FN2.C3H4O3/c1-26(2)23(16-6-4-3-5-7-16)31(25(33)34-26)19-10-8-18(9-11-19)30-24(32)20-12-13-28-21-14-17(27)15-29-22(20)21;1-17(2)15(12-6-4-3-5-7-12)19(16(20)21-17)14-10-8-13(18)9-11-14;1-13(2)18-11(16)10(12(17)19-13)4-3-8-5-9(14)7-15-6-8;2*10-5-3-7-8(12-4-5)6(9(13)14)1-2-11-7;9-6-1-2-11-7-3-5(10)4-12-8(6)7;9-5-3-6-8(11-4-5)7(12)1-2-10-6;1-6(2)9-4(7)3-5(8)10-6;6-4-1-5(7)3-8-2-4;1-3(5)6-2-4/h3-7,12-15,18-19,23H,8-11H2,1-2H3,(H,30,32);3-7,13-15H,8-11,18H2,1-2H3;4-7H,3H2,1-2H3;2*1-4H,(H,13,14);1-4H;1-4H,(H,10,12);3H2,1-2H3;1-3H,7H2;2H,1H3/t18?,19?,23-;13?,14?,15-;;;;;;;;/m00......../s1.
What are the key properties of (4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate?
(4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate has a molecular weight of 2135.92 g/mol, XLogP of 16.79, 11 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;8-bromo-3-fluoro-1,5-naphthyridine;2,2-dimethyl-1,3-dioxane-4,6-dione;N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide;bis(7-fluoro-1,5-naphthyridine-4-carboxylic acid);7-fluoro-1H-1,5-naphthyridin-4-one;5-fluoropyridin-3-amine;5-[2-(5-fluoro-3-pyridinyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;formyl acetate is sourced from PubChem (CID 161177354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).