6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid

C97H106BBr2F8N17O15 — CID 161497077

About 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid

6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 161497077) has the molecular formula C97H106BBr2F8N17O15 and a molecular weight of 2072.62 g/mol. Its IUPAC name is 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 161497077
• Molecular Formula: C97H106BBr2F8N17O15
• Molecular Weight: 2072.62 g/mol
• Exact Mass: 2069.64
• IUPAC Name: 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid
• SMILES: CC(C)(C)OC(=O)CC1COCc2c(Br)cncc21.CCC(=O)NC1COCc2c(-c3cc(F)c4cnn(C)c4c3)cncc21.CCC(=O)O.Cn1ncc2c(F)cc(-c3cncc4c3COCC4N)cc21.Cn1ncc2c(F)cc(-c3cncc4c3COCC4NC(=O)OC(C)(C)C)cc21.Cn1ncc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1ncc2c(F)cc(Br)cc21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H23FN4O3.C19H19FN4O2.C16H15FN4O.C14H18BFN2O2.C14H18BrNO3.C8H6BrFN2.C3H6O2.C2HF3O2/c1-21(2,3)29-20(27)25-18-11-28-10-16-13(7-23-8-14(16)18)12-5-17(22)15-9-24-26(4)19(15)6-12;1-3-19(25)23-17-10-26-9-15-12(6-21-7-13(15)17)11-4-16(20)14-8-22-24(2)18(14)5-11;1-21-16-3-9(2-14(17)12(16)6-20-21)10-4-19-5-11-13(10)7-22-8-15(11)18;1-13(2)14(3,4)20-15(19-13)9-6-11(16)10-8-17-18(5)12(10)7-9;1-14(2,3)19-13(17)4-9-7-18-8-11-10(9)5-16-6-12(11)15;1-12-8-3-5(9)2-7(10)6(8)4-11-12;1-2-3(4)5;3-2(4,5)1(6)7/h5-9,18H,10-11H2,1-4H3,(H,25,27);4-8,17H,3,9-10H2,1-2H3,(H,23,25);2-6,15H,7-8,18H2,1H3;6-8H,1-5H3;5-6,9H,4,7-8H2,1-3H3;2-4H,1H3;2H2,1H3,(H,4,5);(H,6,7)
• InChIKey: HPXGEWISDSTQPF-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 390.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2072.62
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid (CID 161497077) is 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid?

The canonical SMILES for 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)CC1COCc2c(Br)cncc21.CCC(=O)NC1COCc2c(-c3cc(F)c4cnn(C)c4c3)cncc21.CCC(=O)O.Cn1ncc2c(F)cc(-c3cncc4c3COCC4N)cc21.Cn1ncc2c(F)cc(-c3cncc4c3COCC4NC(=O)OC(C)(C)C)cc21.Cn1ncc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1ncc2c(F)cc(Br)cc21.O=C(O)C(F)(F)F.

What is the InChIKey of 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid?

The InChIKey is HPXGEWISDSTQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3.C19H19FN4O2.C16H15FN4O.C14H18BFN2O2.C14H18BrNO3.C8H6BrFN2.C3H6O2.C2HF3O2/c1-21(2,3)29-20(27)25-18-11-28-10-16-13(7-23-8-14(16)18)12-5-17(22)15-9-24-26(4)19(15)6-12;1-3-19(25)23-17-10-26-9-15-12(6-21-7-13(15)17)11-4-16(20)14-8-22-24(2)18(14)5-11;1-21-16-3-9(2-14(17)12(16)6-20-21)10-4-19-5-11-13(10)7-22-8-15(11)18;1-13(2)14(3,4)20-15(19-13)9-6-11(16)10-8-17-18(5)12(10)7-9;1-14(2,3)19-13(17)4-9-7-18-8-11-10(9)5-16-6-12(11)15;1-12-8-3-5(9)2-7(10)6(8)4-11-12;1-2-3(4)5;3-2(4,5)1(6)7/h5-9,18H,10-11H2,1-4H3,(H,25,27);4-8,17H,3,9-10H2,1-2H3,(H,23,25);2-6,15H,7-8,18H2,1H3;6-8H,1-5H3;5-6,9H,4,7-8H2,1-3H3;2-4H,1H3;2H2,1H3,(H,4,5);(H,6,7).

What are the key properties of 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid?

6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 2072.62 g/mol, XLogP of 17.84, 10 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;propanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161497077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).