2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide

C64H74Cl3N21O7 — CID 161102239

IUPAC2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide
SMILESCOCCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.COCCOCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CONC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1
InChIInChI=1S/C23H28ClN7O3.C22H26ClN7O2.C19H20ClN7O2/c1-23(2,3)31-21-16(20(25)27-12-28-21)18(30-31)19-17(24)14-6-5-13(11-15(14)29-19)22(32)26-7-8-34-10-9-33-4;1-22(2,3)30-20-15(19(24)26-11-27-20)17(29-30)18-16(23)13-7-6-12(10-14(13)28-18)21(31)25-8-5-9-32-4;1-19(2,3)27-17-12(16(21)22-8-23-17)14(25-27)15-13(20)10-6-5-9(7-11(10)24-15)18(28)26-29-4/h5-6,11-12,29H,7-10H2,1-4H3,(H,26,32)(H2,25,27,28);6-7,10-11,28H,5,8-9H2,1-4H3,(H,25,31)(H2,24,26,27);5-8,24H,1-4H3,(H,26,28)(H2,21,22,23)
InChIKeyUIOVOPZIIXPNLA-UHFFFAOYSA-N
MW1355.79 g/mol
LogP10.35
Rot. Bonds17

About 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide

2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide (PubChem CID 161102239) has the molecular formula C64H74Cl3N21O7 and a molecular weight of 1355.79 g/mol. Its IUPAC name is 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide
PubChem CID161102239
Molecular FormulaC64H74Cl3N21O7
Molecular Weight1355.79 g/mol
Exact Mass1353.51
IUPAC Name2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide
SMILESCOCCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.COCCOCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CONC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1
InChIInChI=1S/C23H28ClN7O3.C22H26ClN7O2.C19H20ClN7O2/c1-23(2,3)31-21-16(20(25)27-12-28-21)18(30-31)19-17(24)14-6-5-13(11-15(14)29-19)22(32)26-7-8-34-10-9-33-4;1-22(2,3)30-20-15(19(24)26-11-27-20)17(29-30)18-16(23)13-7-6-12(10-14(13)28-18)21(31)25-8-5-9-32-4;1-19(2,3)27-17-12(16(21)22-8-23-17)14(25-27)15-13(20)10-6-5-9(7-11(10)24-15)18(28)26-29-4/h5-6,11-12,29H,7-10H2,1-4H3,(H,26,32)(H2,25,27,28);6-7,10-11,28H,5,8-9H2,1-4H3,(H,25,31)(H2,24,26,27);5-8,24H,1-4H3,(H,26,28)(H2,21,22,23)
InChIKeyUIOVOPZIIXPNLA-UHFFFAOYSA-N
XLogP10.35
TPSA380.45 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001355.79
LogP ≤ 510.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide with MolForge

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Related Compounds

US10954241, Example 78
CID 137253856
US10954241, Example 21
CID 137253759
US10954241, Example 22
CID 137253761
US10954241, Example 25
CID 137253765
US10954241, Example 26
CID 137253767
US10954241, Example 28
CID 137253773
US10954241, Example 17
CID 137253870
US10954241, Example 14
CID 137253871
US10954241, Example 15
CID 137253872
US10954241, Example 98
CID 138522408
US10954241, Example 101
CID 138522413
US10954241, Example 24
CID 138522498

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide?
The IUPAC name of 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide (CID 161102239) is 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-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-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide?
The canonical SMILES for 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide is COCCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.COCCOCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CONC(=O)c1ccc2c(Cl)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-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide?
The InChIKey is UIOVOPZIIXPNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN7O3.C22H26ClN7O2.C19H20ClN7O2/c1-23(2,3)31-21-16(20(25)27-12-28-21)18(30-31)19-17(24)14-6-5-13(11-15(14)29-19)22(32)26-7-8-34-10-9-33-4;1-22(2,3)30-20-15(19(24)26-11-27-20)17(29-30)18-16(23)13-7-6-12(10-14(13)28-18)21(31)25-8-5-9-32-4;1-19(2,3)27-17-12(16(21)22-8-23-17)14(25-27)15-13(20)10-6-5-9(7-11(10)24-15)18(28)26-29-4/h5-6,11-12,29H,7-10H2,1-4H3,(H,26,32)(H2,25,27,28);6-7,10-11,28H,5,8-9H2,1-4H3,(H,25,31)(H2,24,26,27);5-8,24H,1-4H3,(H,26,28)(H2,21,22,23).
What are the key properties of 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide?
2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide has a molecular weight of 1355.79 g/mol, XLogP of 10.35, 17 rotatable bonds, 9 hydrogen bond donors, and 22 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-[2-(2-methoxyethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-methoxy-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3-methoxypropyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 161102239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).