(2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide

C108H95Br3F7N29O14 — CID 157480193

About (2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide

(2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 157480193) has the molecular formula C108H95Br3F7N29O14 and a molecular weight of 2395.83 g/mol. Its IUPAC name is (2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide
• PubChem CID: 157480193
• Molecular Formula: C108H95Br3F7N29O14
• Molecular Weight: 2395.83 g/mol
• Exact Mass: 2391.51
• IUPAC Name: (2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide
• SMILES: CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cc(C)cc(Br)n2)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(-c3cnc4nc(C)[nH]c4c3)cc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)n2)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)[C@@H](O)[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(-c3cnc(C)nc3)cc12
• InChI: InChI=1S/C28H24BrFN8O3.C27H25BrFN7O3.C27H23F4N7O4.C26H23BrFN7O4/c1-14(39)26-19-8-16(17-9-20-27(31-11-17)33-15(2)32-20)6-7-21(19)38(36-26)13-25(40)37-12-18(30)10-22(37)28(41)35-24-5-3-4-23(29)34-24;1-14-6-23(28)32-24(7-14)33-27(39)22-9-19(29)12-35(22)25(38)13-36-21-5-4-17(18-10-30-16(3)31-11-18)8-20(21)26(34-36)15(2)37;1-14(39)25-19-8-16(17-10-32-15(2)33-11-17)6-7-20(19)38(36-25)13-24(40)37-12-18(28)9-21(37)26(41)35-22-4-3-5-23(34-22)42-27(29,30)31;1-13(36)23-17-8-15(16-9-29-14(2)30-10-16)6-7-19(17)35(33-23)12-22(37)34-11-18(28)25(38)24(34)26(39)32-21-5-3-4-20(27)31-21/h3-9,11,18,22H,10,12-13H2,1-2H3,(H,31,32,33)(H,34,35,41);4-8,10-11,19,22H,9,12-13H2,1-3H3,(H,32,33,39);3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,34,35,41);3-10,18,24-25,38H,11-12H2,1-2H3,(H,31,32,39)/t18-,22+;19-,22+;18-,21+;18-,24-,25+/m1110/s1
• InChIKey: BWBNAEDNWCYEJY-XWDDZQJNSA-N
• XLogP: 14.85
• TPSA: 537.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2395.83
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide (CID 157480193) is (2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide is CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cc(C)cc(Br)n2)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(-c3cnc4nc(C)[nH]c4c3)cc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)n2)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)[C@@H](O)[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(-c3cnc(C)nc3)cc12.

What is the InChIKey of (2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide?

The InChIKey is BWBNAEDNWCYEJY-XWDDZQJNSA-N. The full InChI is InChI=1S/C28H24BrFN8O3.C27H25BrFN7O3.C27H23F4N7O4.C26H23BrFN7O4/c1-14(39)26-19-8-16(17-9-20-27(31-11-17)33-15(2)32-20)6-7-21(19)38(36-26)13-25(40)37-12-18(30)10-22(37)28(41)35-24-5-3-4-23(29)34-24;1-14-6-23(28)32-24(7-14)33-27(39)22-9-19(29)12-35(22)25(38)13-36-21-5-4-17(18-10-30-16(3)31-11-18)8-20(21)26(34-36)15(2)37;1-14(39)25-19-8-16(17-10-32-15(2)33-11-17)6-7-20(19)38(36-25)13-24(40)37-12-18(28)9-21(37)26(41)35-22-4-3-5-23(34-22)42-27(29,30)31;1-13(36)23-17-8-15(16-9-29-14(2)30-10-16)6-7-19(17)35(33-23)12-22(37)34-11-18(28)25(38)24(34)26(39)32-21-5-3-4-20(27)31-21/h3-9,11,18,22H,10,12-13H2,1-2H3,(H,31,32,33)(H,34,35,41);4-8,10-11,19,22H,9,12-13H2,1-3H3,(H,32,33,39);3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,34,35,41);3-10,18,24-25,38H,11-12H2,1-2H3,(H,31,32,39)/t18-,22+;19-,22+;18-,21+;18-,24-,25+/m1110/s1.

What are the key properties of (2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide?

(2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 2395.83 g/mol, XLogP of 14.85, 25 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-1-[2-[3-acetyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 157480193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).