1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid)

C125H152N16O12 — CID 158234166

About 1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid)

1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid) (PubChem CID 158234166) has the molecular formula C125H152N16O12 and a molecular weight of 2070.69 g/mol. Its IUPAC name is 1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid).

Molecular Properties

• Compound Name: 1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid)
• PubChem CID: 158234166
• Molecular Formula: C125H152N16O12
• Molecular Weight: 2070.69 g/mol
• Exact Mass: 2069.18
• IUPAC Name: 1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid)
• SMILES: CC(C)c1cccc2cc(C(=O)O)n(Cc3ccccn3)c12.CC(C)c1cccc2cc(C(=O)O)n(Cc3ccccn3)c12.CC(C)c1cn(C)c2cc(C(N)=O)ccc12.CC(C)c1cn(C)c2ccc(CN3CCN(C)CC3)cc12.CC(C)c1nn(C)c2cccc(C(=O)O)c12.CCc1cn(C)c2ccc(CN3CCN(C(C)=O)CC3)cc12.Cc1c(C(C)C)c2cc(C(=O)O)ccc2n1C.Cc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C
• InChI: InChI=1S/C18H25N3O.C18H27N3.2C18H18N2O2.2C14H17NO2.C13H16N2O.C12H14N2O2/c1-4-16-13-19(3)18-6-5-15(11-17(16)18)12-20-7-9-21(10-8-20)14(2)22;1-14(2)17-13-20(4)18-6-5-15(11-16(17)18)12-21-9-7-19(3)8-10-21;2*1-12(2)15-8-5-6-13-10-16(18(21)22)20(17(13)15)11-14-7-3-4-9-19-14;1-8(2)11-6-9(3)5-10-7-12(14(16)17)15(4)13(10)11;1-8(2)13-9(3)15(4)12-6-5-10(14(16)17)7-11(12)13;1-8(2)11-7-15(3)12-6-9(13(14)16)4-5-10(11)12;1-7(2)11-10-8(12(15)16)5-4-6-9(10)14(3)13-11/h5-6,11,13H,4,7-10,12H2,1-3H3;5-6,11,13-14H,7-10,12H2,1-4H3;2*3-10,12H,11H2,1-2H3,(H,21,22);2*5-8H,1-4H3,(H,16,17);4-8H,1-3H3,(H2,14,16);4-7H,1-3H3,(H,15,16)
• InChIKey: GETIBHMXNXGTFA-UHFFFAOYSA-N
• XLogP: 24.68
• TPSA: 337.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2070.69
LogP ≤ 5	24.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid)?

The IUPAC name of 1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid) (CID 158234166) is 1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid).

What is the SMILES notation for 1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid)?

The canonical SMILES for 1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid) is CC(C)c1cccc2cc(C(=O)O)n(Cc3ccccn3)c12.CC(C)c1cccc2cc(C(=O)O)n(Cc3ccccn3)c12.CC(C)c1cn(C)c2cc(C(N)=O)ccc12.CC(C)c1cn(C)c2ccc(CN3CCN(C)CC3)cc12.CC(C)c1nn(C)c2cccc(C(=O)O)c12.CCc1cn(C)c2ccc(CN3CCN(C(C)=O)CC3)cc12.Cc1c(C(C)C)c2cc(C(=O)O)ccc2n1C.Cc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.

What is the InChIKey of 1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid)?

The InChIKey is GETIBHMXNXGTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.C18H27N3.2C18H18N2O2.2C14H17NO2.C13H16N2O.C12H14N2O2/c1-4-16-13-19(3)18-6-5-15(11-17(16)18)12-20-7-9-21(10-8-20)14(2)22;1-14(2)17-13-20(4)18-6-5-15(11-16(17)18)12-21-9-7-19(3)8-10-21;2*1-12(2)15-8-5-6-13-10-16(18(21)22)20(17(13)15)11-14-7-3-4-9-19-14;1-8(2)11-6-9(3)5-10-7-12(14(16)17)15(4)13(10)11;1-8(2)13-9(3)15(4)12-6-5-10(14(16)17)7-11(12)13;1-8(2)11-7-15(3)12-6-9(13(14)16)4-5-10(11)12;1-7(2)11-10-8(12(15)16)5-4-6-9(10)14(3)13-11/h5-6,11,13H,4,7-10,12H2,1-3H3;5-6,11,13-14H,7-10,12H2,1-4H3;2*3-10,12H,11H2,1-2H3,(H,21,22);2*5-8H,1-4H3,(H,16,17);4-8H,1-3H3,(H2,14,16);4-7H,1-3H3,(H,15,16).

What are the key properties of 1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid)?

1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid) has a molecular weight of 2070.69 g/mol, XLogP of 24.68, 22 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid) is sourced from PubChem (CID 158234166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).