2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate

C100H81Br2Cl4F5N20O14 — CID 158919758

About 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate

2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate (PubChem CID 158919758) has the molecular formula C100H81Br2Cl4F5N20O14 and a molecular weight of 2183.48 g/mol. Its IUPAC name is 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate.

Molecular Properties

• Compound Name: 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate
• PubChem CID: 158919758
• Molecular Formula: C100H81Br2Cl4F5N20O14
• Molecular Weight: 2183.48 g/mol
• Exact Mass: 2178.33
• IUPAC Name: 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate
• SMILES: C=C(N=[N+]=[N-])c1cccc(Cl)c1.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Cc2cccc(Br)n2)c2c1ccn1cc(-c3cccc(Cl)c3)nc21.CC(=O)c1nn(CC(=O)O)c2c1ccn1cc(-c3cccc(Cl)c3)cc21.COC(=O)Cn1nc(C(C)=O)c2ccn3cc(-c4cccc(Cl)c4)cc3c21.COC(=O)Cn1nc(C(C)=O)c2ccncc21.O=C(Cc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1C(=O)C(F)(F)F
• InChI: InChI=1S/C29H23BrClFN6O3.C20H16ClN3O3.C19H14ClN3O3.C13H11BrF4N2O2.C11H11N3O3.C8H6ClN3/c1-16(39)27-21-8-9-36-14-22(17-4-2-5-18(31)10-17)34-29(36)28(21)38(35-27)15-26(41)37-13-19(32)11-23(37)24(40)12-20-6-3-7-25(30)33-20;1-12(25)19-16-6-7-23-10-14(13-4-3-5-15(21)8-13)9-17(23)20(16)24(22-19)11-18(26)27-2;1-11(24)18-15-5-6-22-9-13(12-3-2-4-14(20)7-12)8-16(22)19(15)23(21-18)10-17(25)26;14-11-3-1-2-8(19-11)5-10(21)9-4-7(15)6-20(9)12(22)13(16,17)18;1-7(15)11-8-3-4-12-5-9(8)14(13-11)6-10(16)17-2;1-6(11-12-10)7-3-2-4-8(9)5-7/h2-10,14,19,23H,11-13,15H2,1H3;3-10H,11H2,1-2H3;2-9H,10H2,1H3,(H,25,26);1-3,7,9H,4-6H2;3-5H,6H2,1-2H3;2-5H,1H2/t19-,23+;;;7-,9+;;/m1..1../s1
• InChIKey: JHRMWBLBUSGVHM-MIDFRAIHSA-N
• XLogP: 19.88
• TPSA: 417.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2183.48
LogP ≤ 5	19.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate?

The IUPAC name of 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate (CID 158919758) is 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate.

What is the SMILES notation for 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate?

The canonical SMILES for 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate is C=C(N=[N+]=[N-])c1cccc(Cl)c1.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Cc2cccc(Br)n2)c2c1ccn1cc(-c3cccc(Cl)c3)nc21.CC(=O)c1nn(CC(=O)O)c2c1ccn1cc(-c3cccc(Cl)c3)cc21.COC(=O)Cn1nc(C(C)=O)c2ccn3cc(-c4cccc(Cl)c4)cc3c21.COC(=O)Cn1nc(C(C)=O)c2ccncc21.O=C(Cc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1C(=O)C(F)(F)F.

What is the InChIKey of 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate?

The InChIKey is JHRMWBLBUSGVHM-MIDFRAIHSA-N. The full InChI is InChI=1S/C29H23BrClFN6O3.C20H16ClN3O3.C19H14ClN3O3.C13H11BrF4N2O2.C11H11N3O3.C8H6ClN3/c1-16(39)27-21-8-9-36-14-22(17-4-2-5-18(31)10-17)34-29(36)28(21)38(35-27)15-26(41)37-13-19(32)11-23(37)24(40)12-20-6-3-7-25(30)33-20;1-12(25)19-16-6-7-23-10-14(13-4-3-5-15(21)8-13)9-17(23)20(16)24(22-19)11-18(26)27-2;1-11(24)18-15-5-6-22-9-13(12-3-2-4-14(20)7-12)8-16(22)19(15)23(21-18)10-17(25)26;14-11-3-1-2-8(19-11)5-10(21)9-4-7(15)6-20(9)12(22)13(16,17)18;1-7(15)11-8-3-4-12-5-9(8)14(13-11)6-10(16)17-2;1-6(11-12-10)7-3-2-4-8(9)5-7/h2-10,14,19,23H,11-13,15H2,1H3;3-10H,11H2,1-2H3;2-9H,10H2,1H3,(H,25,26);1-3,7,9H,4-6H2;3-5H,6H2,1-2H3;2-5H,1H2/t19-,23+;;;7-,9+;;/m1..1../s1.

What are the key properties of 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate?

2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate has a molecular weight of 2183.48 g/mol, XLogP of 19.88, 23 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate is sourced from PubChem (CID 158919758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).