tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid

C63H99BCl2N16O9Si2 — CID 159136530

About tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid

tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid (PubChem CID 159136530) has the molecular formula C63H99BCl2N16O9Si2 and a molecular weight of 1362.48 g/mol. Its IUPAC name is tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid.

Molecular Properties

• Compound Name: tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid
• PubChem CID: 159136530
• Molecular Formula: C63H99BCl2N16O9Si2
• Molecular Weight: 1362.48 g/mol
• Exact Mass: 1360.68
• IUPAC Name: tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid
• SMILES: C.C.C.C.CC(C)(C)OC(=O)N1CCc2c(c(-c3ncccn3)nn2COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCc2c(c(B(O)O)nn2COCC[Si](C)(C)C)C1.Clc1ncccn1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ncccn3)c2C1
• InChI: InChI=1S/C21H33N5O3Si.C17H32BN3O5Si.C17H15ClN6O.C4H3ClN2.4CH4/c1-21(2,3)29-20(27)25-11-8-17-16(14-25)18(19-22-9-7-10-23-19)24-26(17)15-28-12-13-30(4,5)6;1-17(2,3)26-16(22)20-8-7-14-13(11-20)15(18(23)24)19-21(14)12-25-9-10-27(4,5)6;18-11-3-1-4-12(9-11)21-17(25)24-8-5-14-13(10-24)15(23-22-14)16-19-6-2-7-20-16;5-4-6-2-1-3-7-4;;;;/h7,9-10H,8,11-15H2,1-6H3;23-24H,7-12H2,1-6H3;1-4,6-7,9H,5,8,10H2,(H,21,25)(H,22,23);1-3H;4*1H4
• InChIKey: KHOFNHHOODPQHT-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 292.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1362.48
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid?

The IUPAC name of tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid (CID 159136530) is tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid.

What is the SMILES notation for tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid?

The canonical SMILES for tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid is C.C.C.C.CC(C)(C)OC(=O)N1CCc2c(c(-c3ncccn3)nn2COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCc2c(c(B(O)O)nn2COCC[Si](C)(C)C)C1.Clc1ncccn1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ncccn3)c2C1.

What is the InChIKey of tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid?

The InChIKey is KHOFNHHOODPQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3Si.C17H32BN3O5Si.C17H15ClN6O.C4H3ClN2.4CH4/c1-21(2,3)29-20(27)25-11-8-17-16(14-25)18(19-22-9-7-10-23-19)24-26(17)15-28-12-13-30(4,5)6;1-17(2,3)26-16(22)20-8-7-14-13(11-20)15(18(23)24)19-21(14)12-25-9-10-27(4,5)6;18-11-3-1-4-12(9-11)21-17(25)24-8-5-14-13(10-24)15(23-22-14)16-19-6-2-7-20-16;5-4-6-2-1-3-7-4;;;;/h7,9-10H,8,11-15H2,1-6H3;23-24H,7-12H2,1-6H3;1-4,6-7,9H,5,8,10H2,(H,21,25)(H,22,23);1-3H;4*1H4.

What are the key properties of tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid?

tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid has a molecular weight of 1362.48 g/mol, XLogP of 11.90, 14 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-chloropyrimidine;methane;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-3-yl]boronic acid is sourced from PubChem (CID 159136530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).