2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide

C82H84BClF8I2N31O9- — CID 160843156

About 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide

2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide (PubChem CID 160843156) has the molecular formula C82H84BClF8I2N31O9- and a molecular weight of 2099.84 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide.

Molecular Properties

• Compound Name: 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide
• PubChem CID: 160843156
• Molecular Formula: C82H84BClF8I2N31O9-
• Molecular Weight: 2099.84 g/mol
• Exact Mass: 2098.48
• IUPAC Name: 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide
• SMILES: CC(C)(C)OC(=O)Nc1cncc(F)c1.CC(C)(C)OC(=O)Nc1cncc(F)c1I.Cn1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.Cn1cncc1-c1c(N)cncc1F.Cn1cncc1-c1c(N)cncc1F.Cn1cncc1B1OC(C)(C)C(C)(C)O1.Nc1cncc(F)c1.Nc1nn2cc(F)cnc2c1C(=O)On1nnc2ccc(Cl)cc21.[I-]
• InChI: InChI=1S/C16H12F2N8O.C13H7ClFN7O2.C10H17BN2O2.C10H12FIN2O2.C10H13FN2O2.2C9H9FN4.C5H5FN2.HI/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26;14-6-1-2-8-9(3-6)22(20-18-8)24-13(23)10-11(16)19-21-5-7(15)4-17-12(10)21;1-9(2)10(3,4)15-11(14-9)8-6-12-7-13(8)5;1-10(2,3)16-9(15)14-7-5-13-4-6(11)8(7)12;1-10(2,3)15-9(14)13-8-4-7(11)5-12-6-8;2*1-14-5-13-4-8(14)9-6(10)2-12-3-7(9)11;6-4-1-5(7)3-8-2-4;/h2-7H,1H3,(H2,19,24)(H,23,27);1-5H,(H2,16,19);6-7H,1-5H3;4-5H,1-3H3,(H,14,15);4-6H,1-3H3,(H,13,14);2*2-5H,11H2,1H3;1-3H,7H2;1H/p-1
• InChIKey: XUVHUKWGYCPYEB-UHFFFAOYSA-M
• XLogP: 9.43
• TPSA: 520.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 10
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2099.84
LogP ≤ 5	9.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide?

The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide (CID 160843156) is 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide.

What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide?

The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide is CC(C)(C)OC(=O)Nc1cncc(F)c1.CC(C)(C)OC(=O)Nc1cncc(F)c1I.Cn1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.Cn1cncc1-c1c(N)cncc1F.Cn1cncc1-c1c(N)cncc1F.Cn1cncc1B1OC(C)(C)C(C)(C)O1.Nc1cncc(F)c1.Nc1nn2cc(F)cnc2c1C(=O)On1nnc2ccc(Cl)cc21.[I-].

What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide?

The InChIKey is XUVHUKWGYCPYEB-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12F2N8O.C13H7ClFN7O2.C10H17BN2O2.C10H12FIN2O2.C10H13FN2O2.2C9H9FN4.C5H5FN2.HI/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26;14-6-1-2-8-9(3-6)22(20-18-8)24-13(23)10-11(16)19-21-5-7(15)4-17-12(10)21;1-9(2)10(3,4)15-11(14-9)8-6-12-7-13(8)5;1-10(2,3)16-9(15)14-7-5-13-4-6(11)8(7)12;1-10(2,3)15-9(14)13-8-4-7(11)5-12-6-8;2*1-14-5-13-4-8(14)9-6(10)2-12-3-7(9)11;6-4-1-5(7)3-8-2-4;/h2-7H,1H3,(H2,19,24)(H,23,27);1-5H,(H2,16,19);6-7H,1-5H3;4-5H,1-3H3,(H,14,15);4-6H,1-3H3,(H,13,14);2*2-5H,11H2,1H3;1-3H,7H2;1H/p-1.

What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide?

2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide has a molecular weight of 2099.84 g/mol, XLogP of 9.43, 10 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl N-(5-fluoro-4-iodo-3-pyridinyl)carbamate;tert-butyl N-(5-fluoro-3-pyridinyl)carbamate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-amine);5-fluoropyridin-3-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole;iodide is sourced from PubChem (CID 160843156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).