bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C73H91Br2N15O10Zn — CID 160895707

About bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 160895707) has the molecular formula C73H91Br2N15O10Zn and a molecular weight of 1563.82 g/mol. Its IUPAC name is bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 160895707
• Molecular Formula: C73H91Br2N15O10Zn
• Molecular Weight: 1563.82 g/mol
• Exact Mass: 1559.47
• IUPAC Name: bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC(C)(C)OC(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(Br)cc3)c2=O)CC1.CC(C)(C)OC(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(C4CCC4)cc3)c2=O)CC1.O=c1c2cnn(-c3ccc(C4CCC4)cc3)c2ncn1CC1(O)CCNCC1.[CH-]1CCC1.[Zn+]Br
• InChI: InChI=1S/C26H33N5O4.C22H26BrN5O4.C21H25N5O2.C4H7.BrH.Zn/c1-25(2,3)35-24(33)29-13-11-26(34,12-14-29)16-30-17-27-22-21(23(30)32)15-28-31(22)20-9-7-19(8-10-20)18-5-4-6-18;1-21(2,3)32-20(30)26-10-8-22(31,9-11-26)13-27-14-24-18-17(19(27)29)12-25-28(18)16-6-4-15(23)5-7-16;27-20-18-12-24-26(17-6-4-16(5-7-17)15-2-1-3-15)19(18)23-14-25(20)13-21(28)8-10-22-11-9-21;1-2-4-3-1;;/h7-10,15,17-18,34H,4-6,11-14,16H2,1-3H3;4-7,12,14,31H,8-11,13H2,1-3H3;4-7,12,14-15,22,28H,1-3,8-11,13H2;1H,2-4H2;1H;/q;;;-1;;+2/p-1
• InChIKey: SOVRZTUANNAWRB-UHFFFAOYSA-M
• XLogP: 10.90
• TPSA: 289.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1563.82
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 160895707) is bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)OC(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(Br)cc3)c2=O)CC1.CC(C)(C)OC(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(C4CCC4)cc3)c2=O)CC1.O=c1c2cnn(-c3ccc(C4CCC4)cc3)c2ncn1CC1(O)CCNCC1.[CH-]1CCC1.[Zn+]Br.

What is the InChIKey of bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is SOVRZTUANNAWRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H33N5O4.C22H26BrN5O4.C21H25N5O2.C4H7.BrH.Zn/c1-25(2,3)35-24(33)29-13-11-26(34,12-14-29)16-30-17-27-22-21(23(30)32)15-28-31(22)20-9-7-19(8-10-20)18-5-4-6-18;1-21(2,3)32-20(30)26-10-8-22(31,9-11-26)13-27-14-24-18-17(19(27)29)12-25-28(18)16-6-4-15(23)5-7-16;27-20-18-12-24-26(17-6-4-16(5-7-17)15-2-1-3-15)19(18)23-14-25(20)13-21(28)8-10-22-11-9-21;1-2-4-3-1;;/h7-10,15,17-18,34H,4-6,11-14,16H2,1-3H3;4-7,12,14,31H,8-11,13H2,1-3H3;4-7,12,14-15,22,28H,1-3,8-11,13H2;1H,2-4H2;1H;/q;;;-1;;+2/p-1.

What are the key properties of bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?

bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1563.82 g/mol, XLogP of 10.90, 11 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bromozinc(1+);tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[1-(4-cyclobutylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;cyclobutane;1-(4-cyclobutylphenyl)-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 160895707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).