3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide

C99H67B2BrF18I2N12O6 — CID 162064683

IUPAC3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
SMILESBrc1cnn2ccccc12.CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C.Fc1cccc(-c2cnn3c(I)cccc23)c1F.Fc1cccc(-c2cnn3c(I)cccc23)c1F.Fc1cccc(-c2cnn3ccccc23)c1F.O=C(Nc1ccc(F)cc1)c1cc(-c2cccc3c(-c4cccc(F)c4F)cnn23)ccc1C(F)(F)F.OB(O)c1cccc(F)c1F
InChIInChI=1S/C27H15F6N3O.C20H20BF4NO3.2C13H7F2IN2.C13H8F2N2.C7H5BrN2.C6H5BF2O2/c28-16-8-10-17(11-9-16)35-26(37)19-13-15(7-12-21(19)27(31,32)33)23-5-2-6-24-20(14-34-36(23)24)18-3-1-4-22(29)25(18)30;1-18(2)19(3,4)29-21(28-18)12-5-10-16(20(23,24)25)15(11-12)17(27)26-14-8-6-13(22)7-9-14;2*14-10-4-1-3-8(13(10)15)9-7-17-18-11(9)5-2-6-12(18)16;14-11-5-3-4-9(13(11)15)10-8-16-17-7-2-1-6-12(10)17;8-6-5-9-10-4-2-1-3-7(6)10;8-5-3-1-2-4(6(5)9)7(10)11/h1-14H,(H,35,37);5-11H,1-4H3,(H,26,27);2*1-7H;1-8H;1-5H;1-3,10-11H
InChIKeyZAHMKAJFHJDKJD-UHFFFAOYSA-N
MW2218.00 g/mol
LogP24.54
Rot. Bonds11

About 3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide

3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 162064683) has the molecular formula C99H67B2BrF18I2N12O6 and a molecular weight of 2218.00 g/mol. Its IUPAC name is 3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
PubChem CID162064683
Molecular FormulaC99H67B2BrF18I2N12O6
Molecular Weight2218.00 g/mol
Exact Mass2216.25
IUPAC Name3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
SMILESBrc1cnn2ccccc12.CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C.Fc1cccc(-c2cnn3c(I)cccc23)c1F.Fc1cccc(-c2cnn3c(I)cccc23)c1F.Fc1cccc(-c2cnn3ccccc23)c1F.O=C(Nc1ccc(F)cc1)c1cc(-c2cccc3c(-c4cccc(F)c4F)cnn23)ccc1C(F)(F)F.OB(O)c1cccc(F)c1F
InChIInChI=1S/C27H15F6N3O.C20H20BF4NO3.2C13H7F2IN2.C13H8F2N2.C7H5BrN2.C6H5BF2O2/c28-16-8-10-17(11-9-16)35-26(37)19-13-15(7-12-21(19)27(31,32)33)23-5-2-6-24-20(14-34-36(23)24)18-3-1-4-22(29)25(18)30;1-18(2)19(3,4)29-21(28-18)12-5-10-16(20(23,24)25)15(11-12)17(27)26-14-8-6-13(22)7-9-14;2*14-10-4-1-3-8(13(10)15)9-7-17-18-11(9)5-2-6-12(18)16;14-11-5-3-4-9(13(11)15)10-8-16-17-7-2-1-6-12(10)17;8-6-5-9-10-4-2-1-3-7(6)10;8-5-3-1-2-4(6(5)9)7(10)11/h1-14H,(H,35,37);5-11H,1-4H3,(H,26,27);2*1-7H;1-8H;1-5H;1-3,10-11H
InChIKeyZAHMKAJFHJDKJD-UHFFFAOYSA-N
XLogP24.54
TPSA203.62 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms140
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002218.00
LogP ≤ 524.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide (CID 162064683) is 3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide is Brc1cnn2ccccc12.CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C.Fc1cccc(-c2cnn3c(I)cccc23)c1F.Fc1cccc(-c2cnn3c(I)cccc23)c1F.Fc1cccc(-c2cnn3ccccc23)c1F.O=C(Nc1ccc(F)cc1)c1cc(-c2cccc3c(-c4cccc(F)c4F)cnn23)ccc1C(F)(F)F.OB(O)c1cccc(F)c1F.
What is the InChIKey of 3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is ZAHMKAJFHJDKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15F6N3O.C20H20BF4NO3.2C13H7F2IN2.C13H8F2N2.C7H5BrN2.C6H5BF2O2/c28-16-8-10-17(11-9-16)35-26(37)19-13-15(7-12-21(19)27(31,32)33)23-5-2-6-24-20(14-34-36(23)24)18-3-1-4-22(29)25(18)30;1-18(2)19(3,4)29-21(28-18)12-5-10-16(20(23,24)25)15(11-12)17(27)26-14-8-6-13(22)7-9-14;2*14-10-4-1-3-8(13(10)15)9-7-17-18-11(9)5-2-6-12(18)16;14-11-5-3-4-9(13(11)15)10-8-16-17-7-2-1-6-12(10)17;8-6-5-9-10-4-2-1-3-7(6)10;8-5-3-1-2-4(6(5)9)7(10)11/h1-14H,(H,35,37);5-11H,1-4H3,(H,26,27);2*1-7H;1-8H;1-5H;1-3,10-11H.
What are the key properties of 3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?
3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 2218.00 g/mol, XLogP of 24.54, 11 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyrazolo[1,5-a]pyridine;(2,3-difluorophenyl)boronic acid;bis(3-(2,3-difluorophenyl)-7-iodopyrazolo[1,5-a]pyridine);3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridine;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 162064683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).