1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone

C115H141N17O12 — CID 158712375

About 1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone

1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone (PubChem CID 158712375) has the molecular formula C115H141N17O12 and a molecular weight of 1953.50 g/mol. Its IUPAC name is 1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone
• PubChem CID: 158712375
• Molecular Formula: C115H141N17O12
• Molecular Weight: 1953.50 g/mol
• Exact Mass: 1952.09
• IUPAC Name: 1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone
• SMILES: CC(=O)c1ccc2c(n1)c(C(C)C)cn2C.CC(C)c1cn(C)c2ccc(-c3nc4ccccn4n3)cc12.CC(C)c1cn(C)c2ccc(-c3ncn(-c4ccccn4)n3)cc12.COC1CCN(Cc2cc(C(C)C)c3c(c2)cc(C(=O)O)n3C)CC1.COCCOC1CCN(Cc2cc(C(C)C)c3c(c2)cc(C(=O)O)n3C)CC1.COCCOc1cc(C(C)C)c2c(c1)c(C(=O)O)cn2Cc1cc(C)cc(C)n1
• InChI: InChI=1S/C23H28N2O4.C22H32N2O4.C20H28N2O3.C19H19N5.C18H18N4.C13H16N2O/c1-14(2)19-10-18(29-7-6-28-5)11-20-21(23(26)27)13-25(22(19)20)12-17-9-15(3)8-16(4)24-17;1-15(2)19-12-16(11-17-13-20(22(25)26)23(3)21(17)19)14-24-7-5-18(6-8-24)28-10-9-27-4;1-13(2)17-10-14(12-22-7-5-16(25-4)6-8-22)9-15-11-18(20(23)24)21(3)19(15)17;1-13(2)16-11-23(3)17-8-7-14(10-15(16)17)19-21-12-24(22-19)18-6-4-5-9-20-18;1-12(2)15-11-21(3)16-8-7-13(10-14(15)16)18-19-17-6-4-5-9-22(17)20-18;1-8(2)10-7-15(4)12-6-5-11(9(3)16)14-13(10)12/h8-11,13-14H,6-7,12H2,1-5H3,(H,26,27);11-13,15,18H,5-10,14H2,1-4H3,(H,25,26);9-11,13,16H,5-8,12H2,1-4H3,(H,23,24);4-13H,1-3H3;4-12H,1-3H3;5-8H,1-4H3
• InChIKey: IIWUDNBKOTXJGS-UHFFFAOYSA-N
• XLogP: 22.64
• TPSA: 310.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1953.50
LogP ≤ 5	22.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone?

The IUPAC name of 1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone (CID 158712375) is 1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone.

What is the SMILES notation for 1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone?

The canonical SMILES for 1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone is CC(=O)c1ccc2c(n1)c(C(C)C)cn2C.CC(C)c1cn(C)c2ccc(-c3nc4ccccn4n3)cc12.CC(C)c1cn(C)c2ccc(-c3ncn(-c4ccccn4)n3)cc12.COC1CCN(Cc2cc(C(C)C)c3c(c2)cc(C(=O)O)n3C)CC1.COCCOC1CCN(Cc2cc(C(C)C)c3c(c2)cc(C(=O)O)n3C)CC1.COCCOc1cc(C(C)C)c2c(c1)c(C(=O)O)cn2Cc1cc(C)cc(C)n1.

What is the InChIKey of 1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone?

The InChIKey is IIWUDNBKOTXJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4.C22H32N2O4.C20H28N2O3.C19H19N5.C18H18N4.C13H16N2O/c1-14(2)19-10-18(29-7-6-28-5)11-20-21(23(26)27)13-25(22(19)20)12-17-9-15(3)8-16(4)24-17;1-15(2)19-12-16(11-17-13-20(22(25)26)23(3)21(17)19)14-24-7-5-18(6-8-24)28-10-9-27-4;1-13(2)17-10-14(12-22-7-5-16(25-4)6-8-22)9-15-11-18(20(23)24)21(3)19(15)17;1-13(2)16-11-23(3)17-8-7-14(10-15(16)17)19-21-12-24(22-19)18-6-4-5-9-20-18;1-12(2)15-11-21(3)16-8-7-13(10-14(15)16)18-19-17-6-4-5-9-22(17)20-18;1-8(2)10-7-15(4)12-6-5-11(9(3)16)14-13(10)12/h8-11,13-14H,6-7,12H2,1-5H3,(H,26,27);11-13,15,18H,5-10,14H2,1-4H3,(H,25,26);9-11,13,16H,5-8,12H2,1-4H3,(H,23,24);4-13H,1-3H3;4-12H,1-3H3;5-8H,1-4H3.

What are the key properties of 1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone?

1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone has a molecular weight of 1953.50 g/mol, XLogP of 22.64, 28 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4,6-dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 158712375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).