5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C68H84N10O10Si — CID 162222158

About 5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 162222158) has the molecular formula C68H84N10O10Si and a molecular weight of 1229.57 g/mol. Its IUPAC name is 5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 162222158
• Molecular Formula: C68H84N10O10Si
• Molecular Weight: 1229.57 g/mol
• Exact Mass: 1228.61
• IUPAC Name: 5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: Cc1ccc(-n2ncc3c(=O)n(CC4(O)CCN(C(=O)c5ccc(OC6CCC(O)CC6)cc5)CC4)cnc32)cc1.Cc1ccc(-n2ncc3c(=O)n(CC4(O)CCN(C(=O)c5ccc(OC6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5)CC4)cnc32)cc1
• InChI: InChI=1S/C37H49N5O5Si.C31H35N5O5/c1-26-7-11-28(12-8-26)42-33-32(23-39-42)35(44)41(25-38-33)24-37(45)19-21-40(22-20-37)34(43)27-9-13-29(14-10-27)46-30-15-17-31(18-16-30)47-48(5,6)36(2,3)4;1-21-2-6-23(7-3-21)36-28-27(18-33-36)30(39)35(20-32-28)19-31(40)14-16-34(17-15-31)29(38)22-4-10-25(11-5-22)41-26-12-8-24(37)9-13-26/h7-14,23,25,30-31,45H,15-22,24H2,1-6H3;2-7,10-11,18,20,24,26,37,40H,8-9,12-17,19H2,1H3
• InChIKey: ZUGPYTQZGZAOOQ-UHFFFAOYSA-N
• XLogP: 9.51
• TPSA: 234.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1229.57
LogP ≤ 5	9.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 162222158) is 5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2ncc3c(=O)n(CC4(O)CCN(C(=O)c5ccc(OC6CCC(O)CC6)cc5)CC4)cnc32)cc1.Cc1ccc(-n2ncc3c(=O)n(CC4(O)CCN(C(=O)c5ccc(OC6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5)CC4)cnc32)cc1.

What is the InChIKey of 5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is ZUGPYTQZGZAOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H49N5O5Si.C31H35N5O5/c1-26-7-11-28(12-8-26)42-33-32(23-39-42)35(44)41(25-38-33)24-37(45)19-21-40(22-20-37)34(43)27-9-13-29(14-10-27)46-30-15-17-31(18-16-30)47-48(5,6)36(2,3)4;1-21-2-6-23(7-3-21)36-28-27(18-33-36)30(39)35(20-32-28)19-31(40)14-16-34(17-15-31)29(38)22-4-10-25(11-5-22)41-26-12-8-24(37)9-13-26/h7-14,23,25,30-31,45H,15-22,24H2,1-6H3;2-7,10-11,18,20,24,26,37,40H,8-9,12-17,19H2,1H3.

What are the key properties of 5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?

5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1229.57 g/mol, XLogP of 9.51, 14 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 162222158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).