2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide

C78H84BrCl3N28O4 — CID 157235145

About 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide

2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide (PubChem CID 157235145) has the molecular formula C78H84BrCl3N28O4 and a molecular weight of 1663.98 g/mol. Its IUPAC name is 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide.

Molecular Properties

• Compound Name: 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide
• PubChem CID: 157235145
• Molecular Formula: C78H84BrCl3N28O4
• Molecular Weight: 1663.98 g/mol
• Exact Mass: 1660.55
• IUPAC Name: 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide
• SMILES: CCCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CNC(=O)c1ccc2c(Br)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)C)c4ncnc(N)c34)[nH]c2c1
• InChI: InChI=1S/C22H26ClN7O.C19H20BrN7O.C19H20ClN7O.C18H18ClN7O/c1-5-6-9-25-21(31)12-7-8-13-14(10-12)28-18(16(13)23)17-15-19(24)26-11-27-20(15)30(29-17)22(2,3)4;2*1-19(2,3)27-17-12(16(21)23-8-24-17)14(26-27)15-13(20)10-6-5-9(18(28)22-4)7-11(10)25-15;1-8(2)26-17-12(16(20)22-7-23-17)14(25-26)15-13(19)10-5-4-9(18(27)21-3)6-11(10)24-15/h7-8,10-11,28H,5-6,9H2,1-4H3,(H,25,31)(H2,24,26,27);2*5-8,25H,1-4H3,(H,22,28)(H2,21,23,24);4-8,24H,1-3H3,(H,21,27)(H2,20,22,23)
• InChIKey: AUNXKJBJFBKMBF-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 458.04 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1663.98
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide?

The IUPAC name of 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide (CID 157235145) is 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide.

What is the SMILES notation for 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide?

The canonical SMILES for 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide is CCCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CNC(=O)c1ccc2c(Br)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)C)c4ncnc(N)c34)[nH]c2c1.

What is the InChIKey of 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide?

The InChIKey is AUNXKJBJFBKMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN7O.C19H20BrN7O.C19H20ClN7O.C18H18ClN7O/c1-5-6-9-25-21(31)12-7-8-13-14(10-12)28-18(16(13)23)17-15-19(24)26-11-27-20(15)30(29-17)22(2,3)4;2*1-19(2,3)27-17-12(16(21)23-8-24-17)14(26-27)15-13(20)10-6-5-9(18(28)22-4)7-11(10)25-15;1-8(2)26-17-12(16(20)22-7-23-17)14(25-26)15-13(19)10-5-4-9(18(27)21-3)6-11(10)24-15/h7-8,10-11,28H,5-6,9H2,1-4H3,(H,25,31)(H2,24,26,27);2*5-8,25H,1-4H3,(H,22,28)(H2,21,23,24);4-8,24H,1-3H3,(H,21,27)(H2,20,22,23).

What are the key properties of 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide?

2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide has a molecular weight of 1663.98 g/mol, XLogP of 14.40, 12 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-bromo-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-3-chloro-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide is sourced from PubChem (CID 157235145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).