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

C64H74Cl2FN21O4 — CID 160559444

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

2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-propan-2-yloxypropyl)-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluoro-N-methyl-1H-indole-6-carboxamide (PubChem CID 160559444) has the molecular formula C64H74Cl2FN21O4 and a molecular weight of 1291.34 g/mol. Its IUPAC name is 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-propan-2-yloxypropyl)-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluoro-N-methyl-1H-indole-6-carboxamide.

Molecular Properties

• Compound Name: 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-propan-2-yloxypropyl)-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluoro-N-methyl-1H-indole-6-carboxamide
• PubChem CID: 160559444
• Molecular Formula: C64H74Cl2FN21O4
• Molecular Weight: 1291.34 g/mol
• Exact Mass: 1289.56
• IUPAC Name: 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-propan-2-yloxypropyl)-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluoro-N-methyl-1H-indole-6-carboxamide
• SMILES: CC(C)OCCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CNC(=O)c1ccc2c(F)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1
• InChI: InChI=1S/C24H30ClN7O2.C21H24ClN7O.C19H20FN7O/c1-13(2)34-10-6-9-27-23(33)14-7-8-15-16(11-14)30-20(18(15)25)19-17-21(26)28-12-29-22(17)32(31-19)24(3,4)5;1-5-8-24-20(30)11-6-7-12-13(9-11)27-17(15(12)22)16-14-18(23)25-10-26-19(14)29(28-16)21(2,3)4;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/h7-8,11-13,30H,6,9-10H2,1-5H3,(H,27,33)(H2,26,28,29);6-7,9-10,27H,5,8H2,1-4H3,(H,24,30)(H2,23,25,26);5-8,25H,1-4H3,(H,22,28)(H2,21,23,24)
• InChIKey: QZCORAPUVRPMBZ-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 352.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1291.34
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

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-chloro-N-(3-propan-2-yloxypropyl)-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluoro-N-methyl-1H-indole-6-carboxamide?

The IUPAC name of 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-propan-2-yloxypropyl)-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluoro-N-methyl-1H-indole-6-carboxamide (CID 160559444) is 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-propan-2-yloxypropyl)-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluoro-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-chloro-N-(3-propan-2-yloxypropyl)-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluoro-N-methyl-1H-indole-6-carboxamide?

The canonical SMILES for 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-propan-2-yloxypropyl)-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluoro-N-methyl-1H-indole-6-carboxamide is CC(C)OCCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CNC(=O)c1ccc2c(F)c(-c3nn(C(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-chloro-N-(3-propan-2-yloxypropyl)-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluoro-N-methyl-1H-indole-6-carboxamide?

The InChIKey is QZCORAPUVRPMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN7O2.C21H24ClN7O.C19H20FN7O/c1-13(2)34-10-6-9-27-23(33)14-7-8-15-16(11-14)30-20(18(15)25)19-17-21(26)28-12-29-22(17)32(31-19)24(3,4)5;1-5-8-24-20(30)11-6-7-12-13(9-11)27-17(15(12)22)16-14-18(23)25-10-26-19(14)29(28-16)21(2,3)4;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/h7-8,11-13,30H,6,9-10H2,1-5H3,(H,27,33)(H2,26,28,29);6-7,9-10,27H,5,8H2,1-4H3,(H,24,30)(H2,23,25,26);5-8,25H,1-4H3,(H,22,28)(H2,21,23,24).

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

2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-propan-2-yloxypropyl)-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluoro-N-methyl-1H-indole-6-carboxamide has a molecular weight of 1291.34 g/mol, XLogP of 11.43, 13 rotatable bonds, 9 hydrogen bond donors, and 19 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-chloro-N-(3-propan-2-yloxypropyl)-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluoro-N-methyl-1H-indole-6-carboxamide is sourced from PubChem (CID 160559444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).