1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium

C140H177Cl5FN24O10+ — CID 158935121

About 1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium

1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium (PubChem CID 158935121) has the molecular formula C140H177Cl5FN24O10+ and a molecular weight of 2552.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium.

Molecular Properties

• Compound Name: 1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium
• PubChem CID: 158935121
• Molecular Formula: C140H177Cl5FN24O10+
• Molecular Weight: 2552.38 g/mol
• Exact Mass: 2548.25
• IUPAC Name: 1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium
• SMILES: CC(C)C(=O)c1ccc(Nc2nc(N[C@H](CO)C(C)C)nc3c2ncn3C(C)C)cc1Cl.CC(C)Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2C(C)(C)C.CC(C)Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.CC(C)c1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1.CCCCCCCCCCCCCCCC(C)C(=O)OC(CC(=O)C(C)C)C[N+](C)(C)C.COc1cc2nc(Cl)nc(N3CCC(n4c(=O)n(C(C)C)c5ccccc54)CC3)c2cc1OC
• InChI: InChI=1S/C28H56NO3.C25H28ClN5O3.C23H20Cl2N4O.C23H31ClN6O2.C23H20FN3O.C18H22ClN5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(4)28(31)32-26(23-29(5,6)7)22-27(30)24(2)3;1-15(2)30-19-7-5-6-8-20(19)31(25(30)32)16-9-11-29(12-10-16)23-17-13-21(33-3)22(34-4)14-18(17)27-24(26)28-23;1-13(2)14-6-4-7-16(10-14)27-23-26-12-15-11-17(22(30)29(3)21(15)28-23)20-18(24)8-5-9-19(20)25;1-12(2)18(10-31)27-23-28-21(19-22(29-23)30(11-25-19)14(5)6)26-15-7-8-16(17(24)9-15)20(32)13(3)4;1-15(2)28-20-9-5-18(6-10-20)23-26-21(16-3-7-19(24)8-4-16)22(27-23)17-11-13-25-14-12-17;1-11(2)22-16-14-15(12-6-8-13(19)9-7-12)23-24(18(3,4)5)17(14)21-10-20-16/h24-26H,8-23H2,1-7H3;5-8,13-16H,9-12H2,1-4H3;4-13H,1-3H3,(H,26,27,28);7-9,11-14,18,31H,10H2,1-6H3,(H2,26,27,28,29);3-15H,1-2H3,(H,26,27);6-11H,1-5H3,(H,20,21,22)/q+1;;;;;/t;;;18-;;/m...1../s1
• InChIKey: JJNYXGANKZFZAK-AXHIIXHBSA-N
• XLogP: 33.87
• TPSA: 388.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 47
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2552.38
LogP ≤ 5	33.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium?

The IUPAC name of 1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium (CID 158935121) is 1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium.

What is the SMILES notation for 1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium?

The canonical SMILES for 1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium is CC(C)C(=O)c1ccc(Nc2nc(N[C@H](CO)C(C)C)nc3c2ncn3C(C)C)cc1Cl.CC(C)Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2C(C)(C)C.CC(C)Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.CC(C)c1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1.CCCCCCCCCCCCCCCC(C)C(=O)OC(CC(=O)C(C)C)C[N+](C)(C)C.COc1cc2nc(Cl)nc(N3CCC(n4c(=O)n(C(C)C)c5ccccc54)CC3)c2cc1OC.

What is the InChIKey of 1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium?

The InChIKey is JJNYXGANKZFZAK-AXHIIXHBSA-N. The full InChI is InChI=1S/C28H56NO3.C25H28ClN5O3.C23H20Cl2N4O.C23H31ClN6O2.C23H20FN3O.C18H22ClN5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(4)28(31)32-26(23-29(5,6)7)22-27(30)24(2)3;1-15(2)30-19-7-5-6-8-20(19)31(25(30)32)16-9-11-29(12-10-16)23-17-13-21(33-3)22(34-4)14-18(17)27-24(26)28-23;1-13(2)14-6-4-7-16(10-14)27-23-26-12-15-11-17(22(30)29(3)21(15)28-23)20-18(24)8-5-9-19(20)25;1-12(2)18(10-31)27-23-28-21(19-22(29-23)30(11-25-19)14(5)6)26-15-7-8-16(17(24)9-15)20(32)13(3)4;1-15(2)28-20-9-5-18(6-10-20)23-26-21(16-3-7-19(24)8-4-16)22(27-23)17-11-13-25-14-12-17;1-11(2)22-16-14-15(12-6-8-13(19)9-7-12)23-24(18(3,4)5)17(14)21-10-20-16/h24-26H,8-23H2,1-7H3;5-8,13-16H,9-12H2,1-4H3;4-13H,1-3H3,(H,26,27,28);7-9,11-14,18,31H,10H2,1-6H3,(H2,26,27,28,29);3-15H,1-2H3,(H,26,27);6-11H,1-5H3,(H,20,21,22)/q+1;;;;;/t;;;18-;;/m...1../s1.

What are the key properties of 1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium?

1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium has a molecular weight of 2552.38 g/mol, XLogP of 33.87, 47 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-propan-2-ylbenzimidazol-2-one;1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-2-methylpropan-1-one;6-(2,6-dichlorophenyl)-8-methyl-2-(3-propan-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;4-[4-(4-fluorophenyl)-2-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]pyridine;trimethyl-[5-methyl-2-(2-methylheptadecanoyloxy)-4-oxohexyl]azanium is sourced from PubChem (CID 158935121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).