3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

C106H87F3N22O9S — CID 158488892

About 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158488892) has the molecular formula C106H87F3N22O9S and a molecular weight of 1902.07 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158488892
• Molecular Formula: C106H87F3N22O9S
• Molecular Weight: 1902.07 g/mol
• Exact Mass: 1900.67
• IUPAC Name: 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: CC(=O)n1cc(-c2c[nH]c3ncc(-c4ccc(N(C)C)cc4)cc23)cn1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(C(=O)CCc5ccccc5)c4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=S(=O)(c1ccccc1)n1cc(-c2c[nH]c3ncc(-c4ccc5c(c4)OCCO5)cc23)cn1.c1cc2c(cc1-c1cnc3[nH]cc(-c4cn[nH]c4)c3c1)OCCO2
• InChI: InChI=1S/C27H25N5O.C24H18N4O4S.C20H19N5O.C18H14N4O2.C17H11F3N4O/c1-31(2)23-11-9-20(10-12-23)21-14-24-25(17-29-27(24)28-15-21)22-16-30-32(18-22)26(33)13-8-19-6-4-3-5-7-19;29-33(30,19-4-2-1-3-5-19)28-15-18(13-27-28)21-14-26-24-20(21)10-17(12-25-24)16-6-7-22-23(11-16)32-9-8-31-22;1-13(26)25-12-16(10-23-25)19-11-22-20-18(19)8-15(9-21-20)14-4-6-17(7-5-14)24(2)3;1-2-16-17(24-4-3-23-16)6-11(1)12-5-14-15(13-8-21-22-9-13)10-20-18(14)19-7-12;18-17(19,20)25-13-3-1-10(2-4-13)11-5-14-15(12-7-23-24-8-12)9-22-16(14)21-6-11/h3-7,9-12,14-18H,8,13H2,1-2H3,(H,28,29);1-7,10-15H,8-9H2,(H,25,26);4-12H,1-3H3,(H,21,22);1-2,5-10H,3-4H2,(H,19,20)(H,21,22);1-9H,(H,21,22)(H,23,24)
• InChIKey: HILJNIAEHWXEQJ-UHFFFAOYSA-N
• XLogP: 21.26
• TPSA: 375.13 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1902.07
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 158488892) is 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is CC(=O)n1cc(-c2c[nH]c3ncc(-c4ccc(N(C)C)cc4)cc23)cn1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(C(=O)CCc5ccccc5)c4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=S(=O)(c1ccccc1)n1cc(-c2c[nH]c3ncc(-c4ccc5c(c4)OCCO5)cc23)cn1.c1cc2c(cc1-c1cnc3[nH]cc(-c4cn[nH]c4)c3c1)OCCO2.

What is the InChIKey of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is HILJNIAEHWXEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O.C24H18N4O4S.C20H19N5O.C18H14N4O2.C17H11F3N4O/c1-31(2)23-11-9-20(10-12-23)21-14-24-25(17-29-27(24)28-15-21)22-16-30-32(18-22)26(33)13-8-19-6-4-3-5-7-19;29-33(30,19-4-2-1-3-5-19)28-15-18(13-27-28)21-14-26-24-20(21)10-17(12-25-24)16-6-7-22-23(11-16)32-9-8-31-22;1-13(26)25-12-16(10-23-25)19-11-22-20-18(19)8-15(9-21-20)14-4-6-17(7-5-14)24(2)3;1-2-16-17(24-4-3-23-16)6-11(1)12-5-14-15(13-8-21-22-9-13)10-20-18(14)19-7-12;18-17(19,20)25-13-3-1-10(2-4-13)11-5-14-15(12-7-23-24-8-12)9-22-16(14)21-6-11/h3-7,9-12,14-18H,8,13H2,1-2H3,(H,28,29);1-7,10-15H,8-9H2,(H,25,26);4-12H,1-3H3,(H,21,22);1-2,5-10H,3-4H2,(H,19,20)(H,21,22);1-9H,(H,21,22)(H,23,24).

What are the key properties of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?

3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1902.07 g/mol, XLogP of 21.26, 18 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158488892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).