4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid

C107H93F2N15O15 — CID 160696104

About 4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid

4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid (PubChem CID 160696104) has the molecular formula C107H93F2N15O15 and a molecular weight of 1867.01 g/mol. Its IUPAC name is 4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid.

Molecular Properties

• Compound Name: 4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid
• PubChem CID: 160696104
• Molecular Formula: C107H93F2N15O15
• Molecular Weight: 1867.01 g/mol
• Exact Mass: 1865.69
• IUPAC Name: 4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid
• SMILES: CCOC(=O)c1cc2cc(-c3cc(C(=O)CCc4ccc(CC(=O)OC)cc4)nn3C)ccc2[nH]1.Cc1cc(-c2cc3cc(-c4cc(C(=O)CCc5ccc(C(=O)O)cc5)nn4C)ccc3[nH]2)cc(F)n1.Cn1nc(C(=O)CCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(-c3ccc(F)nc3)cc2c1.Cn1nc(C(=O)CCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(C3=NCCO3)cc2c1
• InChI: InChI=1S/C28H23FN4O3.C27H21FN4O3.C27H27N3O5.C25H22N4O4/c1-16-11-20(14-27(29)30-16)23-13-21-12-19(8-9-22(21)31-23)25-15-24(32-33(25)2)26(34)10-5-17-3-6-18(7-4-17)28(35)36;1-32-24(14-23(31-32)25(33)10-4-16-2-5-17(6-3-16)27(34)35)18-7-9-21-20(12-18)13-22(30-21)19-8-11-26(28)29-15-19;1-4-35-27(33)23-15-20-14-19(10-11-21(20)28-23)24-16-22(29-30(24)2)25(31)12-9-17-5-7-18(8-6-17)13-26(32)34-3;1-29-22(17-7-8-19-18(12-17)13-21(27-19)24-26-10-11-33-24)14-20(28-29)23(30)9-4-15-2-5-16(6-3-15)25(31)32/h3-4,6-9,11-15,31H,5,10H2,1-2H3,(H,35,36);2-3,5-9,11-15,30H,4,10H2,1H3,(H,34,35);5-8,10-11,14-16,28H,4,9,12-13H2,1-3H3;2-3,5-8,12-14,27H,4,9-11H2,1H3,(H,31,32)
• InChIKey: RQABUSLVGVVIJH-UHFFFAOYSA-N
• XLogP: 19.01
• TPSA: 414.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 30
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1867.01
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid?

The IUPAC name of 4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid (CID 160696104) is 4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid.

What is the SMILES notation for 4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid?

The canonical SMILES for 4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid is CCOC(=O)c1cc2cc(-c3cc(C(=O)CCc4ccc(CC(=O)OC)cc4)nn3C)ccc2[nH]1.Cc1cc(-c2cc3cc(-c4cc(C(=O)CCc5ccc(C(=O)O)cc5)nn4C)ccc3[nH]2)cc(F)n1.Cn1nc(C(=O)CCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(-c3ccc(F)nc3)cc2c1.Cn1nc(C(=O)CCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(C3=NCCO3)cc2c1.

What is the InChIKey of 4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid?

The InChIKey is RQABUSLVGVVIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O3.C27H21FN4O3.C27H27N3O5.C25H22N4O4/c1-16-11-20(14-27(29)30-16)23-13-21-12-19(8-9-22(21)31-23)25-15-24(32-33(25)2)26(34)10-5-17-3-6-18(7-4-17)28(35)36;1-32-24(14-23(31-32)25(33)10-4-16-2-5-17(6-3-16)27(34)35)18-7-9-21-20(12-18)13-22(30-21)19-8-11-26(28)29-15-19;1-4-35-27(33)23-15-20-14-19(10-11-21(20)28-23)24-16-22(29-30(24)2)25(31)12-9-17-5-7-18(8-6-17)13-26(32)34-3;1-29-22(17-7-8-19-18(12-17)13-21(27-19)24-26-10-11-33-24)14-20(28-29)23(30)9-4-15-2-5-16(6-3-15)25(31)32/h3-4,6-9,11-15,31H,5,10H2,1-2H3,(H,35,36);2-3,5-9,11-15,30H,4,10H2,1H3,(H,34,35);5-8,10-11,14-16,28H,4,9,12-13H2,1-3H3;2-3,5-8,12-14,27H,4,9-11H2,1H3,(H,31,32).

What are the key properties of 4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid?

4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid has a molecular weight of 1867.01 g/mol, XLogP of 19.01, 30 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[5-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;ethyl 5-[3-[3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylate;4-[3-[5-[2-(2-fluoro-6-methyl-4-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-[2-(6-fluoro-3-pyridinyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid is sourced from PubChem (CID 160696104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).