2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-1H-indole-6-carboxamide

C86H93Cl4N29O6 — CID 159141510

IUPAC2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-1H-indole-6-carboxamide
SMILESCCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CCCNC(=O)c1ccc2c(Cl)c(-c3nn(C4CCOC4)c4ncnc(N)c34)[nH]c2c1.CCCNC(=O)c1ccc2c(Cl)c(-c3nn(C4CCOCC4)c4ncnc(N)c34)[nH]c2c1.Nc1ncnc2c1c(-c1[nH]c3cc(C(=O)NC4CC4)ccc3c1Cl)nn2C1CCNCC1
InChIInChI=1S/C22H23ClN8O.C22H24ClN7O2.C21H22ClN7O2.C21H24ClN7O/c23-17-14-4-1-11(22(32)28-12-2-3-12)9-15(14)29-19(17)18-16-20(24)26-10-27-21(16)31(30-18)13-5-7-25-8-6-13;1-2-7-25-22(31)12-3-4-14-15(10-12)28-19(17(14)23)18-16-20(24)26-11-27-21(16)30(29-18)13-5-8-32-9-6-13;1-2-6-24-21(30)11-3-4-13-14(8-11)27-18(16(13)22)17-15-19(23)25-10-26-20(15)29(28-17)12-5-7-31-9-12;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/h1,4,9-10,12-13,25,29H,2-3,5-8H2,(H,28,32)(H2,24,26,27);3-4,10-11,13,28H,2,5-9H2,1H3,(H,25,31)(H2,24,26,27);3-4,8,10,12,27H,2,5-7,9H2,1H3,(H,24,30)(H2,23,25,26);6-7,9-10,27H,5,8H2,1-4H3,(H,24,30)(H2,23,25,26)
InChIKeyKIDMDDDVGBJYDS-UHFFFAOYSA-N
MW1770.70 g/mol
LogP14.14
Rot. Bonds18

About 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-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-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-1H-indole-6-carboxamide (PubChem CID 159141510) has the molecular formula C86H93Cl4N29O6 and a molecular weight of 1770.70 g/mol. Its IUPAC name is 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-1H-indole-6-carboxamide
PubChem CID159141510
Molecular FormulaC86H93Cl4N29O6
Molecular Weight1770.70 g/mol
Exact Mass1767.66
IUPAC Name2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-1H-indole-6-carboxamide
SMILESCCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CCCNC(=O)c1ccc2c(Cl)c(-c3nn(C4CCOC4)c4ncnc(N)c34)[nH]c2c1.CCCNC(=O)c1ccc2c(Cl)c(-c3nn(C4CCOCC4)c4ncnc(N)c34)[nH]c2c1.Nc1ncnc2c1c(-c1[nH]c3cc(C(=O)NC4CC4)ccc3c1Cl)nn2C1CCNCC1
InChIInChI=1S/C22H23ClN8O.C22H24ClN7O2.C21H22ClN7O2.C21H24ClN7O/c23-17-14-4-1-11(22(32)28-12-2-3-12)9-15(14)29-19(17)18-16-20(24)26-10-27-21(16)31(30-18)13-5-7-25-8-6-13;1-2-7-25-22(31)12-3-4-14-15(10-12)28-19(17(14)23)18-16-20(24)26-11-27-21(16)30(29-18)13-5-8-32-9-6-13;1-2-6-24-21(30)11-3-4-13-14(8-11)27-18(16(13)22)17-15-19(23)25-10-26-20(15)29(28-17)12-5-7-31-9-12;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/h1,4,9-10,12-13,25,29H,2-3,5-8H2,(H,28,32)(H2,24,26,27);3-4,10-11,13,28H,2,5-9H2,1H3,(H,25,31)(H2,24,26,27);3-4,8,10,12,27H,2,5-7,9H2,1H3,(H,24,30)(H2,23,25,26);6-7,9-10,27H,5,8H2,1-4H3,(H,24,30)(H2,23,25,26)
InChIKeyKIDMDDDVGBJYDS-UHFFFAOYSA-N
XLogP14.14
TPSA488.53 Ų
H-Bond Donors13
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001770.70
LogP ≤ 514.14
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1027

Analyze 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-1H-indole-6-carboxamide with MolForge

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Related Compounds

US10954241, Example 21
CID 137253759
US10954241, Example 25
CID 137253765
US10954241, Example 17
CID 137253870
US10954241, Example 14
CID 137253871
US10954241, Example 98
CID 138522408
US10954241, Example 101
CID 138522413
US10954241, Example 24
CID 138522498
US10954241, Example 96
CID 138522514
US10954241, Example 33
CID 138522584
US10954241, Example 95
CID 138522613
US10954241, Example 36
CID 138522614
US10954241, Example 80
CID 138522616

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-1H-indole-6-carboxamide?
The IUPAC name of 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-1H-indole-6-carboxamide (CID 159141510) is 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-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-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-1H-indole-6-carboxamide?
The canonical SMILES for 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-1H-indole-6-carboxamide is CCCNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)(C)C)c4ncnc(N)c34)[nH]c2c1.CCCNC(=O)c1ccc2c(Cl)c(-c3nn(C4CCOC4)c4ncnc(N)c34)[nH]c2c1.CCCNC(=O)c1ccc2c(Cl)c(-c3nn(C4CCOCC4)c4ncnc(N)c34)[nH]c2c1.Nc1ncnc2c1c(-c1[nH]c3cc(C(=O)NC4CC4)ccc3c1Cl)nn2C1CCNCC1.
What is the InChIKey of 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-1H-indole-6-carboxamide?
The InChIKey is KIDMDDDVGBJYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN8O.C22H24ClN7O2.C21H22ClN7O2.C21H24ClN7O/c23-17-14-4-1-11(22(32)28-12-2-3-12)9-15(14)29-19(17)18-16-20(24)26-10-27-21(16)31(30-18)13-5-7-25-8-6-13;1-2-7-25-22(31)12-3-4-14-15(10-12)28-19(17(14)23)18-16-20(24)26-11-27-21(16)30(29-18)13-5-8-32-9-6-13;1-2-6-24-21(30)11-3-4-13-14(8-11)27-18(16(13)22)17-15-19(23)25-10-26-20(15)29(28-17)12-5-7-31-9-12;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/h1,4,9-10,12-13,25,29H,2-3,5-8H2,(H,28,32)(H2,24,26,27);3-4,10-11,13,28H,2,5-9H2,1H3,(H,25,31)(H2,24,26,27);3-4,8,10,12,27H,2,5-7,9H2,1H3,(H,24,30)(H2,23,25,26);6-7,9-10,27H,5,8H2,1-4H3,(H,24,30)(H2,23,25,26).
What are the key properties of 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-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-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-1H-indole-6-carboxamide has a molecular weight of 1770.70 g/mol, XLogP of 14.14, 18 rotatable bonds, 13 hydrogen bond donors, and 27 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-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-chloro-N-propyl-1H-indole-6-carboxamide;2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-cyclopropyl-1H-indole-6-carboxamide is sourced from PubChem (CID 159141510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).