1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate

C₁₁₃H₁₀₂FN₁₃O₂₃S₂ — CID 159992813

About 1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate

1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 159992813) has the molecular formula C₁₁₃H₁₀₂FN₁₃O₂₃S₂ and a molecular weight of 2093.26 g/mol. Its IUPAC name is 1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: 1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
• PubChem CID: 159992813
• Molecular Formula: C₁₁₃H₁₀₂FN₁₃O₂₃S₂
• Molecular Weight: 2093.26 g/mol
• Exact Mass: 2091.66
• IUPAC Name: 1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
• SMILES: COC(=O)C1CSC(C(=O)c2c[nH]c3ccc(F)cc23)=N1.COC(=O)C1CSC(C(=O)c2c[nH]c3ccc(OC)cc23)=N1.COC(=O)c1cnc(C(=O)c2c[nH]c3ccccc23)[nH]1.COC(C)=O.COC(C)=O.COC(C)=O.COc1cc(C(=O)c2c[nH]c3ccccc23)cc(OC)c1OC.O=C(c1ccccc1)c1c[nH]c2ccccc12.O=C(c1ccccn1)c1c[nH]c2ccccc12.O=C(c1cccnc1)c1c[nH]c2ccccc12
• InChI: InChI=1S/C18H17NO4.C15H14N2O4S.C15H11NO.C14H11FN2O3S.C14H11N3O3.2C14H10N2O.3C3H6O2/c1-21-15-8-11(9-16(22-2)18(15)23-3)17(20)13-10-19-14-7-5-4-6-12(13)14;1-20-8-3-4-11-9(5-8)10(6-16-11)13(18)14-17-12(7-22-14)15(19)21-2;17-15(11-6-2-1-3-7-11)13-10-16-14-9-5-4-8-12(13)14;1-20-14(19)11-6-21-13(17-11)12(18)9-5-16-10-3-2-7(15)4-8(9)10;1-20-14(19)11-7-16-13(17-11)12(18)9-6-15-10-5-3-2-4-8(9)10;17-14(10-4-3-7-15-8-10)12-9-16-13-6-2-1-5-11(12)13;17-14(13-7-3-4-8-15-13)11-9-16-12-6-2-1-5-10(11)12;3*1-3(4)5-2/h4-10,19H,1-3H3;3-6,12,16H,7H2,1-2H3;1-10,16H;2-5,11,16H,6H2,1H3;2-7,15H,1H3,(H,16,17);2*1-9,16H;3*1-2H3
• InChIKey: OHDVDXDZGMRWCE-UHFFFAOYSA-N
• XLogP: 19.08
• TPSA: 503.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2093.26
LogP ≤ 5	19.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?

The IUPAC name of 1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 159992813) is 1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate.

What is the SMILES notation for 1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?

The canonical SMILES for 1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate is COC(=O)C1CSC(C(=O)c2c[nH]c3ccc(F)cc23)=N1.COC(=O)C1CSC(C(=O)c2c[nH]c3ccc(OC)cc23)=N1.COC(=O)c1cnc(C(=O)c2c[nH]c3ccccc23)[nH]1.COC(C)=O.COC(C)=O.COC(C)=O.COc1cc(C(=O)c2c[nH]c3ccccc23)cc(OC)c1OC.O=C(c1ccccc1)c1c[nH]c2ccccc12.O=C(c1ccccn1)c1c[nH]c2ccccc12.O=C(c1cccnc1)c1c[nH]c2ccccc12.

What is the InChIKey of 1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?

The InChIKey is OHDVDXDZGMRWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4.C15H14N2O4S.C15H11NO.C14H11FN2O3S.C14H11N3O3.2C14H10N2O.3C3H6O2/c1-21-15-8-11(9-16(22-2)18(15)23-3)17(20)13-10-19-14-7-5-4-6-12(13)14;1-20-8-3-4-11-9(5-8)10(6-16-11)13(18)14-17-12(7-22-14)15(19)21-2;17-15(11-6-2-1-3-7-11)13-10-16-14-9-5-4-8-12(13)14;1-20-14(19)11-6-21-13(17-11)12(18)9-5-16-10-3-2-7(15)4-8(9)10;1-20-14(19)11-7-16-13(17-11)12(18)9-6-15-10-5-3-2-4-8(9)10;17-14(10-4-3-7-15-8-10)12-9-16-13-6-2-1-5-11(12)13;17-14(13-7-3-4-8-15-13)11-9-16-12-6-2-1-5-10(11)12;3*1-3(4)5-2/h4-10,19H,1-3H3;3-6,12,16H,7H2,1-2H3;1-10,16H;2-5,11,16H,6H2,1H3;2-7,15H,1H3,(H,16,17);2*1-9,16H;3*1-2H3.

What are the key properties of 1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?

1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 2093.26 g/mol, XLogP of 19.08, 21 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indol-3-yl(phenyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone;methyl acetate;methyl 2-(5-fluoro-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate;methyl 2-(1H-indole-3-carbonyl)-1H-imidazole-5-carboxylate;methyl 2-(5-methoxy-1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 159992813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159992813 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.