tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide

C63H66BClF2N20O8 — CID 158351734

About tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide

tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide (PubChem CID 158351734) has the molecular formula C63H66BClF2N20O8 and a molecular weight of 1315.61 g/mol. Its IUPAC name is tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide
• PubChem CID: 158351734
• Molecular Formula: C63H66BClF2N20O8
• Molecular Weight: 1315.61 g/mol
• Exact Mass: 1314.51
• IUPAC Name: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide
• SMILES: CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnc(-c2cn[nH]c2)cn1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnc(Cl)cn1
• InChI: InChI=1S/C26H23FN10O2.C23H20ClFN8O2.C14H23BN2O4/c1-26(2,39)23(27)13-32-25(38)18-11-29-20(22-4-3-17-5-15(7-28)8-35-37(17)22)6-19(18)36-24-14-30-21(12-31-24)16-9-33-34-10-16;1-23(2,35)19(25)10-30-22(34)15-9-27-17(6-16(15)32-21-12-28-20(24)11-29-21)18-4-3-14-5-13(7-26)8-31-33(14)18;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h3-6,8-12,14,23,39H,13H2,1-2H3,(H,32,38)(H,33,34)(H,29,31,36);3-6,8-9,11-12,19,35H,10H2,1-2H3,(H,30,34)(H,27,29,32);8-9H,1-7H3/t23-;19-;/m11./s1
• InChIKey: GSKAXYKITYTHFO-ALURFKLJSA-N
• XLogP: 8.29
• TPSA: 373.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1315.61
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide?

The IUPAC name of tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide (CID 158351734) is tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide.

What is the SMILES notation for tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide?

The canonical SMILES for tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide is CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnc(-c2cn[nH]c2)cn1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnc(Cl)cn1.

What is the InChIKey of tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide?

The InChIKey is GSKAXYKITYTHFO-ALURFKLJSA-N. The full InChI is InChI=1S/C26H23FN10O2.C23H20ClFN8O2.C14H23BN2O4/c1-26(2,39)23(27)13-32-25(38)18-11-29-20(22-4-3-17-5-15(7-28)8-35-37(17)22)6-19(18)36-24-14-30-21(12-31-24)16-9-33-34-10-16;1-23(2,35)19(25)10-30-22(34)15-9-27-17(6-16(15)32-21-12-28-20(24)11-29-21)18-4-3-14-5-13(7-26)8-31-33(14)18;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h3-6,8-12,14,23,39H,13H2,1-2H3,(H,32,38)(H,33,34)(H,29,31,36);3-6,8-9,11-12,19,35H,10H2,1-2H3,(H,30,34)(H,27,29,32);8-9H,1-7H3/t23-;19-;/m11./s1.

What are the key properties of tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide?

tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide has a molecular weight of 1315.61 g/mol, XLogP of 8.29, 16 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[(5-chloropyrazin-2-yl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 158351734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).