bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol

C137H162N28O9S2 — CID 159482929

About bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol

bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol (PubChem CID 159482929) has the molecular formula C137H162N28O9S2 and a molecular weight of 2409.12 g/mol. Its IUPAC name is bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol.

Molecular Properties

• Compound Name: bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
• PubChem CID: 159482929
• Molecular Formula: C137H162N28O9S2
• Molecular Weight: 2409.12 g/mol
• Exact Mass: 2407.25
• IUPAC Name: bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
• SMILES: Cc1cccc(-c2cnn3ccc(NC4CCC(C(C)(C)O)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NC4CCC(C)(O)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NC4CCC(CO)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NC4CCC(O)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NCC4CCS(=O)(=O)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NCC4CCS(=O)(=O)CC4)nc23)c1
• InChI: InChI=1S/C22H28N4O.2C20H24N4O.2C19H22N4O2S.C19H22N4O.C18H20N4O/c1-15-5-4-6-16(13-15)19-14-23-26-12-11-20(25-21(19)26)24-18-9-7-17(8-10-18)22(2,3)27;1-14-4-3-5-15(12-14)17-13-21-24-11-8-18(23-19(17)24)22-16-6-9-20(2,25)10-7-16;1-14-3-2-4-16(11-14)18-12-21-24-10-9-19(23-20(18)24)22-17-7-5-15(13-25)6-8-17;2*1-14-3-2-4-16(11-14)17-13-21-23-8-5-18(22-19(17)23)20-12-15-6-9-26(24,25)10-7-15;1-13-3-2-4-14(11-13)17-12-20-23-10-9-18(22-19(17)23)21-15-5-7-16(24)8-6-15;1-13-3-2-4-14(11-13)16-12-19-22-8-5-17(21-18(16)22)20-15-6-9-23-10-7-15/h4-6,11-14,17-18,27H,7-10H2,1-3H3,(H,24,25);3-5,8,11-13,16,25H,6-7,9-10H2,1-2H3,(H,22,23);2-4,9-12,15,17,25H,5-8,13H2,1H3,(H,22,23);2*2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H,20,22);2-4,9-12,15-16,24H,5-8H2,1H3,(H,21,22);2-5,8,11-12,15H,6-7,9-10H2,1H3,(H,20,21)
• InChIKey: LXFOAZXQXPPNPG-UHFFFAOYSA-N
• XLogP: 24.52
• TPSA: 453.97 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2409.12
LogP ≤ 5	24.52
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol?

The IUPAC name of bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol (CID 159482929) is bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol.

What is the SMILES notation for bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol?

The canonical SMILES for bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol is Cc1cccc(-c2cnn3ccc(NC4CCC(C(C)(C)O)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NC4CCC(C)(O)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NC4CCC(CO)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NC4CCC(O)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NCC4CCS(=O)(=O)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NCC4CCS(=O)(=O)CC4)nc23)c1.

What is the InChIKey of bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol?

The InChIKey is LXFOAZXQXPPNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O.2C20H24N4O.2C19H22N4O2S.C19H22N4O.C18H20N4O/c1-15-5-4-6-16(13-15)19-14-23-26-12-11-20(25-21(19)26)24-18-9-7-17(8-10-18)22(2,3)27;1-14-4-3-5-15(12-14)17-13-21-24-11-8-18(23-19(17)24)22-16-6-9-20(2,25)10-7-16;1-14-3-2-4-16(11-14)18-12-21-24-10-9-19(23-20(18)24)22-17-7-5-15(13-25)6-8-17;2*1-14-3-2-4-16(11-14)17-13-21-23-8-5-18(22-19(17)23)20-12-15-6-9-26(24,25)10-7-15;1-13-3-2-4-14(11-13)17-12-20-23-10-9-18(22-19(17)23)21-15-5-7-16(24)8-6-15;1-13-3-2-4-14(11-13)16-12-19-22-8-5-17(21-18(16)22)20-15-6-9-23-10-7-15/h4-6,11-14,17-18,27H,7-10H2,1-3H3,(H,24,25);3-5,8,11-13,16,25H,6-7,9-10H2,1-2H3,(H,22,23);2-4,9-12,15,17,25H,5-8,13H2,1H3,(H,22,23);2*2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H,20,22);2-4,9-12,15-16,24H,5-8H2,1H3,(H,21,22);2-5,8,11-12,15H,6-7,9-10H2,1H3,(H,20,21).

What are the key properties of bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol?

bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol has a molecular weight of 2409.12 g/mol, XLogP of 24.52, 25 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol is sourced from PubChem (CID 159482929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).