tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid

C63H77N15O10 — CID 159971368

About tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid

tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid (PubChem CID 159971368) has the molecular formula C63H77N15O10 and a molecular weight of 1204.40 g/mol. Its IUPAC name is tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid
• PubChem CID: 159971368
• Molecular Formula: C63H77N15O10
• Molecular Weight: 1204.40 g/mol
• Exact Mass: 1203.60
• IUPAC Name: tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCc2c(N)n[nH]c2C1.Cc1cc2c(C(=O)O)cccc2[nH]1.Cc1cc2c(C(=O)n3nc(N)c4c3CN(C(=O)OC(C)(C)C)CC4)cccc2[nH]1.Cc1cc2c(C(=O)n3nc4c(c3N)CCN(C(=O)OC(C)(C)C)C4)cccc2[nH]1
• InChI: InChI=1S/2C21H25N5O3.C11H18N4O2.C10H9NO2/c1-12-10-15-13(6-5-7-16(15)23-12)19(27)26-17-11-25(20(28)29-21(2,3)4)9-8-14(17)18(22)24-26;1-12-10-15-13(6-5-7-16(15)23-12)19(27)26-18(22)14-8-9-25(11-17(14)24-26)20(28)29-21(2,3)4;1-11(2,3)17-10(16)15-5-4-7-8(6-15)13-14-9(7)12;1-6-5-8-7(10(12)13)3-2-4-9(8)11-6/h5-7,10,23H,8-9,11H2,1-4H3,(H2,22,24);5-7,10,23H,8-9,11,22H2,1-4H3;4-6H2,1-3H3,(H3,12,13,14);2-5,11H,1H3,(H,12,13)
• InChIKey: OEOXVBPFMTWIJT-UHFFFAOYSA-N
• XLogP: 9.93
• TPSA: 349.81 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 3
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1204.40
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid?

The IUPAC name of tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid (CID 159971368) is tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid.

What is the SMILES notation for tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid?

The canonical SMILES for tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid is CC(C)(C)OC(=O)N1CCc2c(N)n[nH]c2C1.Cc1cc2c(C(=O)O)cccc2[nH]1.Cc1cc2c(C(=O)n3nc(N)c4c3CN(C(=O)OC(C)(C)C)CC4)cccc2[nH]1.Cc1cc2c(C(=O)n3nc4c(c3N)CCN(C(=O)OC(C)(C)C)C4)cccc2[nH]1.

What is the InChIKey of tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid?

The InChIKey is OEOXVBPFMTWIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H25N5O3.C11H18N4O2.C10H9NO2/c1-12-10-15-13(6-5-7-16(15)23-12)19(27)26-17-11-25(20(28)29-21(2,3)4)9-8-14(17)18(22)24-26;1-12-10-15-13(6-5-7-16(15)23-12)19(27)26-18(22)14-8-9-25(11-17(14)24-26)20(28)29-21(2,3)4;1-11(2,3)17-10(16)15-5-4-7-8(6-15)13-14-9(7)12;1-6-5-8-7(10(12)13)3-2-4-9(8)11-6/h5-7,10,23H,8-9,11H2,1-4H3,(H2,22,24);5-7,10,23H,8-9,11,22H2,1-4H3;4-6H2,1-3H3,(H3,12,13,14);2-5,11H,1H3,(H,12,13).

What are the key properties of tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid?

tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid has a molecular weight of 1204.40 g/mol, XLogP of 9.93, 3 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate;tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate;2-methyl-1H-indole-4-carboxylic acid is sourced from PubChem (CID 159971368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).