4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone

C58H60BBrCl2F2N12O4 — CID 158814526

About 4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone

4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 158814526) has the molecular formula C58H60BBrCl2F2N12O4 and a molecular weight of 1188.82 g/mol. Its IUPAC name is 4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: 4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 158814526
• Molecular Formula: C58H60BBrCl2F2N12O4
• Molecular Weight: 1188.82 g/mol
• Exact Mass: 1186.35
• IUPAC Name: 4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone
• SMILES: CC1(C)OB(c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)OC1(C)C.CCc1cc(Nc2cc(-c3cc(F)c4c(c3)CCN4C(=O)Cc3cccnc3Cl)ccn2)n(C)n1.CCc1cc(Nc2cc(Br)ccn2)n(C)n1
• InChI: InChI=1S/C26H24ClFN6O.C21H23BClFN2O3.C11H13BrN4/c1-3-20-15-23(33(2)32-20)31-22-13-16(6-9-29-22)19-11-17-7-10-34(25(17)21(28)12-19)24(35)14-18-5-4-8-30-26(18)27;1-20(2)21(3,4)29-22(28-20)15-10-13-7-9-26(18(13)16(24)12-15)17(27)11-14-6-5-8-25-19(14)23;1-3-9-7-11(16(2)15-9)14-10-6-8(12)4-5-13-10/h4-6,8-9,11-13,15H,3,7,10,14H2,1-2H3,(H,29,31);5-6,8,10,12H,7,9,11H2,1-4H3;4-7H,3H2,1-2H3,(H,13,14)
• InChIKey: IVCIEYXIHINZAZ-UHFFFAOYSA-N
• XLogP: 11.30
• TPSA: 170.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1188.82
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone?

The IUPAC name of 4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone (CID 158814526) is 4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone.

What is the SMILES notation for 4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone?

The canonical SMILES for 4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone is CC1(C)OB(c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)OC1(C)C.CCc1cc(Nc2cc(-c3cc(F)c4c(c3)CCN4C(=O)Cc3cccnc3Cl)ccn2)n(C)n1.CCc1cc(Nc2cc(Br)ccn2)n(C)n1.

What is the InChIKey of 4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone?

The InChIKey is IVCIEYXIHINZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN6O.C21H23BClFN2O3.C11H13BrN4/c1-3-20-15-23(33(2)32-20)31-22-13-16(6-9-29-22)19-11-17-7-10-34(25(17)21(28)12-19)24(35)14-18-5-4-8-30-26(18)27;1-20(2)21(3,4)29-22(28-20)15-10-13-7-9-26(18(13)16(24)12-15)17(27)11-14-6-5-8-25-19(14)23;1-3-9-7-11(16(2)15-9)14-10-6-8(12)4-5-13-10/h4-6,8-9,11-13,15H,3,7,10,14H2,1-2H3,(H,29,31);5-6,8,10,12H,7,9,11H2,1-4H3;4-7H,3H2,1-2H3,(H,13,14).

What are the key properties of 4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone?

4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 1188.82 g/mol, XLogP of 11.30, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-(3-ethyl-1-methylpyrazol-5-yl)pyridin-2-amine;2-(2-chloro-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 158814526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).