5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one

C169H153N23O21 — CID 159571012

About 5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one

5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one (PubChem CID 159571012) has the molecular formula C169H153N23O21 and a molecular weight of 2842.22 g/mol. Its IUPAC name is 5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one.

Molecular Properties

• Compound Name: 5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one
• PubChem CID: 159571012
• Molecular Formula: C169H153N23O21
• Molecular Weight: 2842.22 g/mol
• Exact Mass: 2840.16
• IUPAC Name: 5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one
• SMILES: CCOC(=O)c1cc2cc(-c3cc(C(=O)CCC4=CCC(=O)C=C4)nn3C)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cc(C(=O)CCc4ccncc4)ncc3C)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cc(C(=O)CCc4ccncc4)nn3C)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cncc(C(=O)CCc4ccncc4)c3)ccc2[nH]1.CCOCc1cc2cc(-c3cc(C(=O)CCc4ccncc4)nn3C)ccc2[nH]1.Cn1nc(C(=O)CCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(C(=O)O)cc2c1.O=C(CCc1ccncc1)c1cccc(-c2ccc3[nH]c(-c4ccncc4)cc3c2)c1
• InChI: InChI=1S/C27H21N3O.C25H23N3O3.C24H23N3O4.C24H21N3O3.C23H22N4O3.C23H24N4O2.C23H19N3O5/c31-27(7-4-19-8-12-28-13-9-19)23-3-1-2-21(16-23)22-5-6-25-24(17-22)18-26(30-25)20-10-14-29-15-11-20;1-3-31-25(30)23-13-19-12-18(5-6-21(19)28-23)20-14-22(27-15-16(20)2)24(29)7-4-17-8-10-26-11-9-17;1-3-31-24(30)21-13-17-12-16(7-10-19(17)25-21)22-14-20(26-27(22)2)23(29)11-6-15-4-8-18(28)9-5-15;1-2-30-24(29)22-13-18-11-17(4-5-21(18)27-22)19-12-20(15-26-14-19)23(28)6-3-16-7-9-25-10-8-16;1-3-30-23(29)20-13-17-12-16(5-6-18(17)25-20)21-14-19(26-27(21)2)22(28)7-4-15-8-10-24-11-9-15;1-3-29-15-19-13-18-12-17(5-6-20(18)25-19)22-14-21(26-27(22)2)23(28)7-4-16-8-10-24-11-9-16;1-26-20(15-7-8-17-16(10-15)11-19(24-17)23(30)31)12-18(25-26)21(27)9-4-13-2-5-14(6-3-13)22(28)29/h1-3,5-6,8-18,30H,4,7H2;5-6,8-15,28H,3-4,7H2,1-2H3;4-5,7-8,10,12-14,25H,3,6,9,11H2,1-2H3;4-5,7-15,27H,2-3,6H2,1H3;5-6,8-14,25H,3-4,7H2,1-2H3;5-6,8-14,25H,3-4,7,15H2,1-2H3;2-3,5-8,10-12,24H,4,9H2,1H3,(H,28,29)(H,30,31)
• InChIKey: MHUWIKKDQWDVLX-UHFFFAOYSA-N
• XLogP: 31.86
• TPSA: 610.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 49
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2842.22
LogP ≤ 5	31.86
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one?

The IUPAC name of 5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one (CID 159571012) is 5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one.

What is the SMILES notation for 5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one?

The canonical SMILES for 5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one is CCOC(=O)c1cc2cc(-c3cc(C(=O)CCC4=CCC(=O)C=C4)nn3C)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cc(C(=O)CCc4ccncc4)ncc3C)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cc(C(=O)CCc4ccncc4)nn3C)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cncc(C(=O)CCc4ccncc4)c3)ccc2[nH]1.CCOCc1cc2cc(-c3cc(C(=O)CCc4ccncc4)nn3C)ccc2[nH]1.Cn1nc(C(=O)CCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(C(=O)O)cc2c1.O=C(CCc1ccncc1)c1cccc(-c2ccc3[nH]c(-c4ccncc4)cc3c2)c1.

What is the InChIKey of 5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one?

The InChIKey is MHUWIKKDQWDVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O.C25H23N3O3.C24H23N3O4.C24H21N3O3.C23H22N4O3.C23H24N4O2.C23H19N3O5/c31-27(7-4-19-8-12-28-13-9-19)23-3-1-2-21(16-23)22-5-6-25-24(17-22)18-26(30-25)20-10-14-29-15-11-20;1-3-31-25(30)23-13-19-12-18(5-6-21(19)28-23)20-14-22(27-15-16(20)2)24(29)7-4-17-8-10-26-11-9-17;1-3-31-24(30)21-13-17-12-16(7-10-19(17)25-21)22-14-20(26-27(22)2)23(29)11-6-15-4-8-18(28)9-5-15;1-2-30-24(29)22-13-18-11-17(4-5-21(18)27-22)19-12-20(15-26-14-19)23(28)6-3-16-7-9-25-10-8-16;1-3-30-23(29)20-13-17-12-16(5-6-18(17)25-20)21-14-19(26-27(21)2)22(28)7-4-15-8-10-24-11-9-15;1-3-29-15-19-13-18-12-17(5-6-20(18)25-19)22-14-21(26-27(22)2)23(28)7-4-16-8-10-24-11-9-16;1-26-20(15-7-8-17-16(10-15)11-19(24-17)23(30)31)12-18(25-26)21(27)9-4-13-2-5-14(6-3-13)22(28)29/h1-3,5-6,8-18,30H,4,7H2;5-6,8-15,28H,3-4,7H2,1-2H3;4-5,7-8,10,12-14,25H,3,6,9,11H2,1-2H3;4-5,7-15,27H,2-3,6H2,1H3;5-6,8-14,25H,3-4,7H2,1-2H3;5-6,8-14,25H,3-4,7,15H2,1-2H3;2-3,5-8,10-12,24H,4,9H2,1H3,(H,28,29)(H,30,31).

What are the key properties of 5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one?

5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one has a molecular weight of 2842.22 g/mol, XLogP of 31.86, 49 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[3-(4-carboxyphenyl)propanoyl]-1-methylpyrazol-5-yl]-1H-indole-2-carboxylic acid;1-[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;ethyl 5-[1-methyl-3-[3-(4-oxocyclohexa-1,5-dien-1-yl)propanoyl]pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[1-methyl-3-(3-pyridin-4-ylpropanoyl)pyrazol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[5-(3-pyridin-4-ylpropanoyl)-3-pyridinyl]-1H-indole-2-carboxylate;3-pyridin-4-yl-1-[3-(2-pyridin-4-yl-1H-indol-5-yl)phenyl]propan-1-one is sourced from PubChem (CID 159571012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).