1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid

C161H202N20O17 — CID 158385093

About 1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid

1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 158385093) has the molecular formula C161H202N20O17 and a molecular weight of 2689.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid
• PubChem CID: 158385093
• Molecular Formula: C161H202N20O17
• Molecular Weight: 2689.51 g/mol
• Exact Mass: 2687.56
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid
• SMILES: C.CC(=O)c1cc2cc(C)cc(C(C)C)c2n1Cc1cc(C)ccn1.CC(=O)c1cc2cc(C)cc(C(C)C)c2n1Cc1cccc(C)n1.CC(C)c1cn(C)c2ccc(-c3ncn(C)n3)cc12.CC(C)c1cn(C)c2ncc(C(=O)O)cc12.CC(C)c1cn(CCN(C)C)c2ccc(C(=O)O)cc12.CCOCCn1c(C(=O)O)cc2cc(C)cc(C(C)C)c21.COCCn1cc(C(C)C)c2cc(-c3ncn(CC4COC4)n3)ccc21.COc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1cc(C)ccn1.Cc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2CCOC(C)C
• InChI: InChI=1S/2C21H24N2O.C20H26N4O2.C20H22N2O3.C18H25NO3.C17H23NO3.C16H22N2O2.C15H18N4.C12H14N2O2.CH4/c1-13(2)19-10-15(4)8-17-11-20(16(5)24)23(21(17)19)12-18-9-14(3)6-7-22-18;1-13(2)19-10-14(3)9-17-11-20(16(5)24)23(21(17)19)12-18-8-6-7-15(4)22-18;1-14(2)18-10-23(6-7-25-3)19-5-4-16(8-17(18)19)20-21-13-24(22-20)9-15-11-26-12-15;1-12(2)15-5-6-18(25-4)16-10-17(20(23)24)22(19(15)16)11-14-9-13(3)7-8-21-14;1-11(2)15-9-13(5)8-14-10-16(18(20)21)19(17(14)15)6-7-22-12(3)4;1-5-21-7-6-18-15(17(19)20)10-13-8-12(4)9-14(11(2)3)16(13)18;1-11(2)14-10-18(8-7-17(3)4)15-6-5-12(16(19)20)9-13(14)15;1-10(2)13-8-18(3)14-6-5-11(7-12(13)14)15-16-9-19(4)17-15;1-7(2)10-6-14(3)11-9(10)4-8(5-13-11)12(15)16;/h2*6-11,13H,12H2,1-5H3;4-5,8,10,13-15H,6-7,9,11-12H2,1-3H3;5-10,12H,11H2,1-4H3,(H,23,24);8-12H,6-7H2,1-5H3,(H,20,21);8-11H,5-7H2,1-4H3,(H,19,20);5-6,9-11H,7-8H2,1-4H3,(H,19,20);5-10H,1-4H3;4-7H,1-3H3,(H,15,16);1H4
• InChIKey: GWGQKEJFRBYBCO-UHFFFAOYSA-N
• XLogP: 34.75
• TPSA: 427.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 41
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2689.51
LogP ≤ 5	34.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid?

The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 158385093) is 1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid.

What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid?

The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid is C.CC(=O)c1cc2cc(C)cc(C(C)C)c2n1Cc1cc(C)ccn1.CC(=O)c1cc2cc(C)cc(C(C)C)c2n1Cc1cccc(C)n1.CC(C)c1cn(C)c2ccc(-c3ncn(C)n3)cc12.CC(C)c1cn(C)c2ncc(C(=O)O)cc12.CC(C)c1cn(CCN(C)C)c2ccc(C(=O)O)cc12.CCOCCn1c(C(=O)O)cc2cc(C)cc(C(C)C)c21.COCCn1cc(C(C)C)c2cc(-c3ncn(CC4COC4)n3)ccc21.COc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1cc(C)ccn1.Cc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2CCOC(C)C.

What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid?

The InChIKey is GWGQKEJFRBYBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H24N2O.C20H26N4O2.C20H22N2O3.C18H25NO3.C17H23NO3.C16H22N2O2.C15H18N4.C12H14N2O2.CH4/c1-13(2)19-10-15(4)8-17-11-20(16(5)24)23(21(17)19)12-18-9-14(3)6-7-22-18;1-13(2)19-10-14(3)9-17-11-20(16(5)24)23(21(17)19)12-18-8-6-7-15(4)22-18;1-14(2)18-10-23(6-7-25-3)19-5-4-16(8-17(18)19)20-21-13-24(22-20)9-15-11-26-12-15;1-12(2)15-5-6-18(25-4)16-10-17(20(23)24)22(19(15)16)11-14-9-13(3)7-8-21-14;1-11(2)15-9-13(5)8-14-10-16(18(20)21)19(17(14)15)6-7-22-12(3)4;1-5-21-7-6-18-15(17(19)20)10-13-8-12(4)9-14(11(2)3)16(13)18;1-11(2)14-10-18(8-7-17(3)4)15-6-5-12(16(19)20)9-13(14)15;1-10(2)13-8-18(3)14-6-5-11(7-12(13)14)15-16-9-19(4)17-15;1-7(2)10-6-14(3)11-9(10)4-8(5-13-11)12(15)16;/h2*6-11,13H,12H2,1-5H3;4-5,8,10,13-15H,6-7,9,11-12H2,1-3H3;5-10,12H,11H2,1-4H3,(H,23,24);8-12H,6-7H2,1-5H3,(H,20,21);8-11H,5-7H2,1-4H3,(H,19,20);5-6,9-11H,7-8H2,1-4H3,(H,19,20);5-10H,1-4H3;4-7H,1-3H3,(H,15,16);1H4.

What are the key properties of 1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid?

1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 2689.51 g/mol, XLogP of 34.75, 41 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 158385093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).