5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C64H84B2BrClN16O6 — CID 159646822

About 5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159646822) has the molecular formula C64H84B2BrClN16O6 and a molecular weight of 1310.46 g/mol. Its IUPAC name is 5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159646822
• Molecular Formula: C64H84B2BrClN16O6
• Molecular Weight: 1310.46 g/mol
• Exact Mass: 1308.58
• IUPAC Name: 5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCc2c(cnn2C(C)(C)C)C1=O.Cc1cc(Br)ccc1CN1CCc2c(cnn2C(C)(C)C)C1=O.Cn1cc(Nc2nccc(Cl)n2)cn1
• InChI: InChI=1S/C26H30N8O.C18H22BrN3O.C12H24B2O4.C8H8ClN5/c1-17-12-18(22-8-10-27-25(31-22)30-20-13-28-32(5)16-20)6-7-19(17)15-33-11-9-23-21(24(33)35)14-29-34(23)26(2,3)4;1-12-9-14(19)6-5-13(12)11-21-8-7-16-15(17(21)23)10-20-22(16)18(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-14-5-6(4-11-14)12-8-10-3-2-7(9)13-8/h6-8,10,12-14,16H,9,11,15H2,1-5H3,(H,27,30,31);5-6,9-10H,7-8,11H2,1-4H3;1-8H3;2-5H,1H3,(H,10,12,13)
• InChIKey: MRBGUETUKCEJBS-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 224.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1310.46
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159646822) is 5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCc2c(cnn2C(C)(C)C)C1=O.Cc1cc(Br)ccc1CN1CCc2c(cnn2C(C)(C)C)C1=O.Cn1cc(Nc2nccc(Cl)n2)cn1.

What is the InChIKey of 5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is MRBGUETUKCEJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O.C18H22BrN3O.C12H24B2O4.C8H8ClN5/c1-17-12-18(22-8-10-27-25(31-22)30-20-13-28-32(5)16-20)6-7-19(17)15-33-11-9-23-21(24(33)35)14-29-34(23)26(2,3)4;1-12-9-14(19)6-5-13(12)11-21-8-7-16-15(17(21)23)10-20-22(16)18(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-14-5-6(4-11-14)12-8-10-3-2-7(9)13-8/h6-8,10,12-14,16H,9,11,15H2,1-5H3,(H,27,30,31);5-6,9-10H,7-8,11H2,1-4H3;1-8H3;2-5H,1H3,(H,10,12,13).

What are the key properties of 5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1310.46 g/mol, XLogP of 11.84, 10 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-bromo-2-methylphenyl)methyl]-1-tert-butyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159646822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).