[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

C119H101FN26O11S4 — CID 159086509

About [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (PubChem CID 159086509) has the molecular formula C119H101FN26O11S4 and a molecular weight of 2218.55 g/mol. Its IUPAC name is [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
• PubChem CID: 159086509
• Molecular Formula: C119H101FN26O11S4
• Molecular Weight: 2218.55 g/mol
• Exact Mass: 2216.70
• IUPAC Name: [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
• SMILES: CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(C(=O)c5ccco5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(C(=O)c5cccs5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5cccc([N+](=O)[O-])c5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5F)c4)c3c2)cc1.Cc1ccccc1S(=O)(=O)n1cc(-c2c[nH]c3ncc(-c4ccc(N(C)C)cc4)cc23)cn1
• InChI: InChI=1S/C25H23N5O2S.C24H20FN5O2S.C24H20N6O4S.C23H19N5O2.C23H19N5OS/c1-17-6-4-5-7-24(17)33(31,32)30-16-20(14-28-30)23-15-27-25-22(23)12-19(13-26-25)18-8-10-21(11-9-18)29(2)3;1-29(2)19-9-7-16(8-10-19)17-11-20-21(14-27-24(20)26-12-17)18-13-28-30(15-18)33(31,32)23-6-4-3-5-22(23)25;1-28(2)19-8-6-16(7-9-19)17-10-22-23(14-26-24(22)25-12-17)18-13-27-29(15-18)35(33,34)21-5-3-4-20(11-21)30(31)32;2*1-27(2)18-7-5-15(6-8-18)16-10-19-20(13-25-22(19)24-11-16)17-12-26-28(14-17)23(29)21-4-3-9-30-21/h4-16H,1-3H3,(H,26,27);3-15H,1-2H3,(H,26,27);3-15H,1-2H3,(H,25,26);2*3-14H,1-2H3,(H,24,25)
• InChIKey: KBMUKEXIBZBYNZ-UHFFFAOYSA-N
• XLogP: 22.90
• TPSA: 441.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2218.55
LogP ≤ 5	22.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The IUPAC name of [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (CID 159086509) is [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

What is the SMILES notation for [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The canonical SMILES for [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(C(=O)c5ccco5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(C(=O)c5cccs5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5cccc([N+](=O)[O-])c5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5F)c4)c3c2)cc1.Cc1ccccc1S(=O)(=O)n1cc(-c2c[nH]c3ncc(-c4ccc(N(C)C)cc4)cc23)cn1.

What is the InChIKey of [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The InChIKey is KBMUKEXIBZBYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S.C24H20FN5O2S.C24H20N6O4S.C23H19N5O2.C23H19N5OS/c1-17-6-4-5-7-24(17)33(31,32)30-16-20(14-28-30)23-15-27-25-22(23)12-19(13-26-25)18-8-10-21(11-9-18)29(2)3;1-29(2)19-9-7-16(8-10-19)17-11-20-21(14-27-24(20)26-12-17)18-13-28-30(15-18)33(31,32)23-6-4-3-5-22(23)25;1-28(2)19-8-6-16(7-9-19)17-10-22-23(14-26-24(22)25-12-17)18-13-27-29(15-18)35(33,34)21-5-3-4-20(11-21)30(31)32;2*1-27(2)18-7-5-15(6-8-18)16-10-19-20(13-25-22(19)24-11-16)17-12-26-28(14-17)23(29)21-4-3-9-30-21/h4-16H,1-3H3,(H,26,27);3-15H,1-2H3,(H,26,27);3-15H,1-2H3,(H,25,26);2*3-14H,1-2H3,(H,24,25).

What are the key properties of [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline has a molecular weight of 2218.55 g/mol, XLogP of 22.90, 24 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(furan-2-yl)methanone;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-thiophen-2-ylmethanone;N,N-dimethyl-4-[3-[1-(2-methylphenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 159086509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).