6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate

C99H109BBr3F11N22O19 — CID 167712041

About 6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate

6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate (PubChem CID 167712041) has the molecular formula C99H109BBr3F11N22O19 and a molecular weight of 2370.60 g/mol. Its IUPAC name is 6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate.

Molecular Properties

• Compound Name: 6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate
• PubChem CID: 167712041
• Molecular Formula: C99H109BBr3F11N22O19
• Molecular Weight: 2370.60 g/mol
• Exact Mass: 2366.57
• IUPAC Name: 6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate
• SMILES: CC(C)(C)OC(=O)Nc1cnc(Br)c(F)c1.CC(C)(C)OC(=O)Nc1cnc(Br)c(F)c1.COC(=O)c1c(-c2ncc(NC(=O)OC(C)(C)C)cc2F)cnn1C.COC(=O)c1c(B2OCC(C)(C)CO2)cnn1C.C[C@@H](OC(=O)Cc1c(-c2ncc(NC(=O)C34CC(F)(C3)C4)cc2F)cnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ncc(NC(=O)OC(C)(C)C)cc2F)cnn1C)c1cc(F)cnc1F.Nc1cnc(Br)c(F)c1
• InChI: InChI=1S/C24H21F4N5O3.C23H24F3N5O4.C16H19FN4O4.C11H17BN2O4.2C10H12BrFN2O2.C5H4BrFN2/c1-12(15-3-13(25)6-30-21(15)27)36-19(34)5-18-16(8-31-33(18)2)20-17(26)4-14(7-29-20)32-22(35)23-9-24(28,10-23)11-23;1-12(15-6-13(24)9-28-21(15)26)34-19(32)8-18-16(11-29-31(18)5)20-17(25)7-14(10-27-20)30-22(33)35-23(2,3)4;1-16(2,3)25-15(23)20-9-6-11(17)12(18-7-9)10-8-19-21(4)13(10)14(22)24-5;1-11(2)6-17-12(18-7-11)8-5-13-14(3)9(8)10(15)16-4;2*1-10(2,3)16-9(15)14-6-4-7(12)8(11)13-5-6;6-5-4(7)1-3(8)2-9-5/h3-4,6-8,12H,5,9-11H2,1-2H3,(H,32,35);6-7,9-12H,8H2,1-5H3,(H,30,33);6-8H,1-5H3,(H,20,23);5H,6-7H2,1-4H3;2*4-5H,1-3H3,(H,14,15);1-2H,8H2/t12-,23?,24?;12-;;;;;/m11...../s1
• InChIKey: ZZGXZBAEBKLUFW-UKXSKGNHSA-N
• XLogP: 19.42
• TPSA: 506.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2370.60
LogP ≤ 5	19.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate?

The IUPAC name of 6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate (CID 167712041) is 6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate.

What is the SMILES notation for 6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate?

The canonical SMILES for 6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate is CC(C)(C)OC(=O)Nc1cnc(Br)c(F)c1.CC(C)(C)OC(=O)Nc1cnc(Br)c(F)c1.COC(=O)c1c(-c2ncc(NC(=O)OC(C)(C)C)cc2F)cnn1C.COC(=O)c1c(B2OCC(C)(C)CO2)cnn1C.C[C@@H](OC(=O)Cc1c(-c2ncc(NC(=O)C34CC(F)(C3)C4)cc2F)cnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ncc(NC(=O)OC(C)(C)C)cc2F)cnn1C)c1cc(F)cnc1F.Nc1cnc(Br)c(F)c1.

What is the InChIKey of 6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate?

The InChIKey is ZZGXZBAEBKLUFW-UKXSKGNHSA-N. The full InChI is InChI=1S/C24H21F4N5O3.C23H24F3N5O4.C16H19FN4O4.C11H17BN2O4.2C10H12BrFN2O2.C5H4BrFN2/c1-12(15-3-13(25)6-30-21(15)27)36-19(34)5-18-16(8-31-33(18)2)20-17(26)4-14(7-29-20)32-22(35)23-9-24(28,10-23)11-23;1-12(15-6-13(24)9-28-21(15)26)34-19(32)8-18-16(11-29-31(18)5)20-17(25)7-14(10-27-20)30-22(33)35-23(2,3)4;1-16(2,3)25-15(23)20-9-6-11(17)12(18-7-9)10-8-19-21(4)13(10)14(22)24-5;1-11(2)6-17-12(18-7-11)8-5-13-14(3)9(8)10(15)16-4;2*1-10(2,3)16-9(15)14-6-4-7(12)8(11)13-5-6;6-5-4(7)1-3(8)2-9-5/h3-4,6-8,12H,5,9-11H2,1-2H3,(H,32,35);6-7,9-12H,8H2,1-5H3,(H,30,33);6-8H,1-5H3,(H,20,23);5H,6-7H2,1-4H3;2*4-5H,1-3H3,(H,14,15);1-2H,8H2/t12-,23?,24?;12-;;;;;/m11...../s1.

What are the key properties of 6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate?

6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate has a molecular weight of 2370.60 g/mol, XLogP of 19.42, 20 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-5-fluoropyridin-3-amine;bis(tert-butyl N-(6-bromo-5-fluoro-3-pyridinyl)carbamate);[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazol-5-yl]acetate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 4-[3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 167712041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).