2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C72H69BBrClF4N20O4S4 — CID 157246801

About 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 157246801) has the molecular formula C72H69BBrClF4N20O4S4 and a molecular weight of 1608.91 g/mol. Its IUPAC name is 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 157246801
• Molecular Formula: C72H69BBrClF4N20O4S4
• Molecular Weight: 1608.91 g/mol
• Exact Mass: 1606.36
• IUPAC Name: 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CC1(C)OB(c2ccc(N)nc2)OC1(C)C.CCc1nn(-c2nccs2)cc1-c1ccc(N)nc1.CCc1nn(-c2nccs2)cc1-c1ccc(N)nc1.CCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.CCc1nn(-c2nccs2)cc1Br.O=C(Cl)c1c(F)cccc1F
• InChI: InChI=1S/C20H15F2N5OS.2C13H13N5S.C11H17BN2O2.C8H8BrN3S.C7H3ClF2O/c1-2-16-13(11-27(26-16)20-23-8-9-29-20)12-6-7-17(24-10-12)25-19(28)18-14(21)4-3-5-15(18)22;2*1-2-11-10(9-3-4-12(14)16-7-9)8-18(17-11)13-15-5-6-19-13;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-2-7-6(9)5-12(11-7)8-10-3-4-13-8;8-7(11)6-4(9)2-1-3-5(6)10/h3-11H,2H2,1H3,(H,24,25,28);2*3-8H,2H2,1H3,(H2,14,16);5-7H,1-4H3,(H2,13,14);3-5H,2H2,1H3;1-3H
• InChIKey: AVWIIYZNFFNWHY-UHFFFAOYSA-N
• XLogP: 15.52
• TPSA: 317.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1608.91
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 157246801) is 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.CCc1nn(-c2nccs2)cc1-c1ccc(N)nc1.CCc1nn(-c2nccs2)cc1-c1ccc(N)nc1.CCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.CCc1nn(-c2nccs2)cc1Br.O=C(Cl)c1c(F)cccc1F.

What is the InChIKey of 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is AVWIIYZNFFNWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5OS.2C13H13N5S.C11H17BN2O2.C8H8BrN3S.C7H3ClF2O/c1-2-16-13(11-27(26-16)20-23-8-9-29-20)12-6-7-17(24-10-12)25-19(28)18-14(21)4-3-5-15(18)22;2*1-2-11-10(9-3-4-12(14)16-7-9)8-18(17-11)13-15-5-6-19-13;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-2-7-6(9)5-12(11-7)8-10-3-4-13-8;8-7(11)6-4(9)2-1-3-5(6)10/h3-11H,2H2,1H3,(H,24,25,28);2*3-8H,2H2,1H3,(H2,14,16);5-7H,1-4H3,(H2,13,14);3-5H,2H2,1H3;1-3H.

What are the key properties of 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1608.91 g/mol, XLogP of 15.52, 15 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 157246801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).