4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C108H99N24O8S2+ — CID 158797649

About 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 158797649) has the molecular formula C108H99N24O8S2+ and a molecular weight of 1925.27 g/mol. Its IUPAC name is 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

• Compound Name: 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
• PubChem CID: 158797649
• Molecular Formula: C108H99N24O8S2+
• Molecular Weight: 1925.27 g/mol
• Exact Mass: 1923.75
• IUPAC Name: 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
• SMILES: CCCNC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CCOC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CN(C)c1ccc(-c2c[nH+]c3[nH]cc(-c4cnn(C(=O)c5ccccc5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)Cc5ccccc5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(C)(=O)=O)c4)c3c2)cc1
• InChI: InChI=1S/C25H23N5O2S.C25H21N5O.C20H19N5O.C19H19N5O2S.C19H16N4O2/c1-29(2)22-10-8-19(9-11-22)20-12-23-24(15-27-25(23)26-13-20)21-14-28-30(16-21)33(31,32)17-18-6-4-3-5-7-18;1-29(2)21-10-8-17(9-11-21)19-12-22-23(15-27-24(22)26-13-19)20-14-28-30(16-20)25(31)18-6-4-3-5-7-18;1-2-7-21-20(26)14-5-3-13(4-6-14)15-8-17-18(16-10-24-25-11-16)12-23-19(17)22-9-15;1-23(2)16-6-4-13(5-7-16)14-8-17-18(11-21-19(17)20-9-14)15-10-22-24(12-15)27(3,25)26;1-2-25-19(24)13-5-3-12(4-6-13)14-7-16-17(15-9-22-23-10-15)11-21-18(16)20-8-14/h3-16H,17H2,1-2H3,(H,26,27);3-16H,1-2H3,(H,26,27);3-6,8-12H,2,7H2,1H3,(H,21,26)(H,22,23)(H,24,25);4-12H,1-3H3,(H,20,21);3-11H,2H2,1H3,(H,20,21)(H,22,23)/p+1
• InChIKey: ULCPAICZWSNCGN-UHFFFAOYSA-O
• XLogP: 19.33
• TPSA: 405.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1925.27
LogP ≤ 5	19.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The IUPAC name of 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 158797649) is 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

What is the SMILES notation for 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The canonical SMILES for 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is CCCNC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CCOC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CN(C)c1ccc(-c2c[nH+]c3[nH]cc(-c4cnn(C(=O)c5ccccc5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)Cc5ccccc5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(C)(=O)=O)c4)c3c2)cc1.

What is the InChIKey of 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The InChIKey is ULCPAICZWSNCGN-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H23N5O2S.C25H21N5O.C20H19N5O.C19H19N5O2S.C19H16N4O2/c1-29(2)22-10-8-19(9-11-22)20-12-23-24(15-27-25(23)26-13-20)21-14-28-30(16-21)33(31,32)17-18-6-4-3-5-7-18;1-29(2)21-10-8-17(9-11-21)19-12-22-23(15-27-24(22)26-13-19)20-14-28-30(16-20)25(31)18-6-4-3-5-7-18;1-2-7-21-20(26)14-5-3-13(4-6-14)15-8-17-18(16-10-24-25-11-16)12-23-19(17)22-9-15;1-23(2)16-6-4-13(5-7-16)14-8-17-18(11-21-19(17)20-9-14)15-10-22-24(12-15)27(3,25)26;1-2-25-19(24)13-5-3-12(4-6-13)14-7-16-17(15-9-22-23-10-15)11-21-18(16)20-8-14/h3-16H,17H2,1-2H3,(H,26,27);3-16H,1-2H3,(H,26,27);3-6,8-12H,2,7H2,1H3,(H,21,26)(H,22,23)(H,24,25);4-12H,1-3H3,(H,20,21);3-11H,2H2,1H3,(H,20,21)(H,22,23)/p+1.

What are the key properties of 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 1925.27 g/mol, XLogP of 19.33, 23 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 158797649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).