2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide

C118H121Br2Cl4F4N39O16 — CID 161356558

IUPAC2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.Nc1ncnc2c1cnn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.Nc1ncnc2c1cnn2CC(=O)N(CC(=O)Nc1cccc(Br)n1)C1CC1.Nc1ncnc2c1cnn2CC(=O)N(CC(=O)Nc1cncc(Br)n1)C1CC1
InChIInChI=1S/C23H25ClFN5O4.C23H25ClFN5O3.C20H19ClFN5O3.C19H19ClFN7O2.C17H17BrN8O2.C16H16BrN9O2/c1-14(9-10-31)29(12-19(32)27-11-15-5-4-7-17(24)21(15)25)20(33)13-30-18-8-3-2-6-16(18)22(28-30)23(26)34;1-3-14(2)29(12-19(31)27-11-15-7-6-9-17(24)21(15)25)20(32)13-30-18-10-5-4-8-16(18)22(28-30)23(26)33;1-26(10-16(28)24-9-12-5-4-7-14(21)18(12)22)17(29)11-27-15-8-3-2-6-13(15)19(25-27)20(23)30;20-14-3-1-2-11(17(14)21)6-23-15(29)8-27(12-4-5-12)16(30)9-28-19-13(7-26-28)18(22)24-10-25-19;18-12-2-1-3-13(23-12)24-14(27)7-25(10-4-5-10)15(28)8-26-17-11(6-22-26)16(19)20-9-21-17;17-11-4-19-5-12(23-11)24-13(27)6-25(9-1-2-9)14(28)7-26-16-10(3-22-26)15(18)20-8-21-16/h2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10,14H,3,11-13H2,1-2H3,(H2,26,33)(H,27,31);2-8H,9-11H2,1H3,(H2,23,30)(H,24,28);1-3,7,10,12H,4-6,8-9H2,(H,23,29)(H2,22,24,25);1-3,6,9-10H,4-5,7-8H2,(H2,19,20,21)(H,23,24,27);3-5,8-9H,1-2,6-7H2,(H2,18,20,21)(H,23,24,27)
InChIKeyVOPVBKLIVORBMT-UHFFFAOYSA-N
MW2719.13 g/mol
LogP9.71
Rot. Bonds45

About 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide

2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 161356558) has the molecular formula C118H121Br2Cl4F4N39O16 and a molecular weight of 2719.13 g/mol. Its IUPAC name is 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID161356558
Molecular FormulaC118H121Br2Cl4F4N39O16
Molecular Weight2719.13 g/mol
Exact Mass2713.69
IUPAC Name2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.Nc1ncnc2c1cnn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.Nc1ncnc2c1cnn2CC(=O)N(CC(=O)Nc1cccc(Br)n1)C1CC1.Nc1ncnc2c1cnn2CC(=O)N(CC(=O)Nc1cncc(Br)n1)C1CC1
InChIInChI=1S/C23H25ClFN5O4.C23H25ClFN5O3.C20H19ClFN5O3.C19H19ClFN7O2.C17H17BrN8O2.C16H16BrN9O2/c1-14(9-10-31)29(12-19(32)27-11-15-5-4-7-17(24)21(15)25)20(33)13-30-18-8-3-2-6-16(18)22(28-30)23(26)34;1-3-14(2)29(12-19(31)27-11-15-7-6-9-17(24)21(15)25)20(32)13-30-18-10-5-4-8-16(18)22(28-30)23(26)33;1-26(10-16(28)24-9-12-5-4-7-14(21)18(12)22)17(29)11-27-15-8-3-2-6-13(15)19(25-27)20(23)30;20-14-3-1-2-11(17(14)21)6-23-15(29)8-27(12-4-5-12)16(30)9-28-19-13(7-26-28)18(22)24-10-25-19;18-12-2-1-3-13(23-12)24-14(27)7-25(10-4-5-10)15(28)8-26-17-11(6-22-26)16(19)20-9-21-17;17-11-4-19-5-12(23-11)24-13(27)6-25(9-1-2-9)14(28)7-26-16-10(3-22-26)15(18)20-8-21-16/h2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10,14H,3,11-13H2,1-2H3,(H2,26,33)(H,27,31);2-8H,9-11H2,1H3,(H2,23,30)(H,24,28);1-3,7,10,12H,4-6,8-9H2,(H,23,29)(H2,22,24,25);1-3,6,9-10H,4-5,7-8H2,(H2,19,20,21)(H,23,24,27);3-5,8-9H,1-2,6-7H2,(H2,18,20,21)(H,23,24,27)
InChIKeyVOPVBKLIVORBMT-UHFFFAOYSA-N
XLogP9.71
TPSA746.95 Ų
H-Bond Donors13
H-Bond Acceptors40
Rotatable Bonds45
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002719.13
LogP ≤ 59.71
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide (CID 161356558) is 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide is CC(CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.Nc1ncnc2c1cnn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.Nc1ncnc2c1cnn2CC(=O)N(CC(=O)Nc1cccc(Br)n1)C1CC1.Nc1ncnc2c1cnn2CC(=O)N(CC(=O)Nc1cncc(Br)n1)C1CC1.
What is the InChIKey of 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is VOPVBKLIVORBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O4.C23H25ClFN5O3.C20H19ClFN5O3.C19H19ClFN7O2.C17H17BrN8O2.C16H16BrN9O2/c1-14(9-10-31)29(12-19(32)27-11-15-5-4-7-17(24)21(15)25)20(33)13-30-18-8-3-2-6-16(18)22(28-30)23(26)34;1-3-14(2)29(12-19(31)27-11-15-7-6-9-17(24)21(15)25)20(32)13-30-18-10-5-4-8-16(18)22(28-30)23(26)33;1-26(10-16(28)24-9-12-5-4-7-14(21)18(12)22)17(29)11-27-15-8-3-2-6-13(15)19(25-27)20(23)30;20-14-3-1-2-11(17(14)21)6-23-15(29)8-27(12-4-5-12)16(30)9-28-19-13(7-26-28)18(22)24-10-25-19;18-12-2-1-3-13(23-12)24-14(27)7-25(10-4-5-10)15(28)8-26-17-11(6-22-26)16(19)20-9-21-17;17-11-4-19-5-12(23-11)24-13(27)6-25(9-1-2-9)14(28)7-26-16-10(3-22-26)15(18)20-8-21-16/h2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10,14H,3,11-13H2,1-2H3,(H2,26,33)(H,27,31);2-8H,9-11H2,1H3,(H2,23,30)(H,24,28);1-3,7,10,12H,4-6,8-9H2,(H,23,29)(H2,22,24,25);1-3,6,9-10H,4-5,7-8H2,(H2,19,20,21)(H,23,24,27);3-5,8-9H,1-2,6-7H2,(H2,18,20,21)(H,23,24,27).
What are the key properties of 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide?
2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 2719.13 g/mol, XLogP of 9.71, 45 rotatable bonds, 13 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[butan-2-yl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxybutan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 161356558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).