5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide

C126H153N17O15 — CID 159596948

About 5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide

5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide (PubChem CID 159596948) has the molecular formula C126H153N17O15 and a molecular weight of 2145.71 g/mol. Its IUPAC name is 5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide.

Molecular Properties

• Compound Name: 5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide
• PubChem CID: 159596948
• Molecular Formula: C126H153N17O15
• Molecular Weight: 2145.71 g/mol
• Exact Mass: 2144.17
• IUPAC Name: 5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide
• SMILES: CC(C)c1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.CC(C)c1cc(C(C)C)c2c(c1)cc(C(=O)O)n2Cc1ccccn1.CC(C)c1cccc2c(C(N)=O)cn(C)c12.CC(C)c1cn(C)c2ccc(-c3nnnn3C)cc12.CC(C)c1cn(C)c2ccc(C(=O)NO)cc12.COCCn1c(C(=O)O)cc2c(C(C)C)cccc21.COCCn1c(C(N)=O)cc2cccc(C(C)C)c21.COc1cccc(Cn2c(C(=O)O)cc3cccc(C(C)C)c32)n1
• InChI: InChI=1S/C21H24N2O2.C19H20N2O3.C16H21NO2.C15H20N2O2.C15H19NO3.C14H17N5.C13H16N2O2.C13H16N2O/c1-13(2)15-9-16-11-19(21(24)25)23(12-17-7-5-6-8-22-17)20(16)18(10-15)14(3)4;1-12(2)15-8-4-6-13-10-16(19(22)23)21(18(13)15)11-14-7-5-9-17(20-14)24-3;1-9(2)11-6-12-8-14(16(18)19)17(5)15(12)13(7-11)10(3)4;1-10(2)12-6-4-5-11-9-13(15(16)18)17(14(11)12)7-8-19-3;1-10(2)11-5-4-6-13-12(11)9-14(15(17)18)16(13)7-8-19-3;1-9(2)12-8-18(3)13-6-5-10(7-11(12)13)14-15-16-17-19(14)4;1-8(2)11-7-15(3)12-5-4-9(6-10(11)12)13(16)14-17;1-8(2)9-5-4-6-10-11(13(14)16)7-15(3)12(9)10/h5-11,13-14H,12H2,1-4H3,(H,24,25);4-10,12H,11H2,1-3H3,(H,22,23);6-10H,1-5H3,(H,18,19);4-6,9-10H,7-8H2,1-3H3,(H2,16,18);4-6,9-10H,7-8H2,1-3H3,(H,17,18);5-9H,1-4H3;4-8,17H,1-3H3,(H,14,16);4-8H,1-3H3,(H2,14,16)
• InChIKey: MKYXWKYFLXKITR-UHFFFAOYSA-N
• XLogP: 26.00
• TPSA: 421.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2145.71
LogP ≤ 5	26.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide?

The IUPAC name of 5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide (CID 159596948) is 5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide.

What is the SMILES notation for 5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide?

The canonical SMILES for 5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide is CC(C)c1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.CC(C)c1cc(C(C)C)c2c(c1)cc(C(=O)O)n2Cc1ccccn1.CC(C)c1cccc2c(C(N)=O)cn(C)c12.CC(C)c1cn(C)c2ccc(-c3nnnn3C)cc12.CC(C)c1cn(C)c2ccc(C(=O)NO)cc12.COCCn1c(C(=O)O)cc2c(C(C)C)cccc21.COCCn1c(C(N)=O)cc2cccc(C(C)C)c21.COc1cccc(Cn2c(C(=O)O)cc3cccc(C(C)C)c32)n1.

What is the InChIKey of 5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide?

The InChIKey is MKYXWKYFLXKITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2.C19H20N2O3.C16H21NO2.C15H20N2O2.C15H19NO3.C14H17N5.C13H16N2O2.C13H16N2O/c1-13(2)15-9-16-11-19(21(24)25)23(12-17-7-5-6-8-22-17)20(16)18(10-15)14(3)4;1-12(2)15-8-4-6-13-10-16(19(22)23)21(18(13)15)11-14-7-5-9-17(20-14)24-3;1-9(2)11-6-12-8-14(16(18)19)17(5)15(12)13(7-11)10(3)4;1-10(2)12-6-4-5-11-9-13(15(16)18)17(14(11)12)7-8-19-3;1-10(2)11-5-4-6-13-12(11)9-14(15(17)18)16(13)7-8-19-3;1-9(2)12-8-18(3)13-6-5-10(7-11(12)13)14-15-16-17-19(14)4;1-8(2)11-7-15(3)12-5-4-9(6-10(11)12)13(16)14-17;1-8(2)9-5-4-6-10-11(13(14)16)7-15(3)12(9)10/h5-11,13-14H,12H2,1-4H3,(H,24,25);4-10,12H,11H2,1-3H3,(H,22,23);6-10H,1-5H3,(H,18,19);4-6,9-10H,7-8H2,1-3H3,(H2,16,18);4-6,9-10H,7-8H2,1-3H3,(H,17,18);5-9H,1-4H3;4-8,17H,1-3H3,(H,14,16);4-8H,1-3H3,(H2,14,16).

What are the key properties of 5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide?

5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide has a molecular weight of 2145.71 g/mol, XLogP of 26.00, 29 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-di(propan-2-yl)-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;N-hydroxy-1-methyl-3-propan-2-ylindole-5-carboxamide;1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxamide;1-(2-methoxyethyl)-4-propan-2-ylindole-2-carboxylic acid;1-[(6-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxylic acid;1-methyl-5-(1-methyltetrazol-5-yl)-3-propan-2-ylindole;1-methyl-7-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 159596948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).