2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

C124H113F6N27O9 — CID 158311803

About 2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (PubChem CID 158311803) has the molecular formula C124H113F6N27O9 and a molecular weight of 2239.44 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
• PubChem CID: 158311803
• Molecular Formula: C124H113F6N27O9
• Molecular Weight: 2239.44 g/mol
• Exact Mass: 2237.91
• IUPAC Name: 2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
• SMILES: COc1ccncc1-c1cc2cc(CC(=O)c3n[nH]c(C)c3C)cnc2[nH]1.COc1cncc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4C(F)(F)F)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4OC(F)(F)F)cc3c2)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1.Cc1cncc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1
• InChI: InChI=1S/C22H22N4O.C21H17F3N4O2.C21H17F3N4O.2C20H19N5O2.C20H19N5O/c1-12-5-6-18(13(2)7-12)19-10-17-8-16(11-23-22(17)24-19)9-20(27)21-14(3)15(4)25-26-21;1-11-12(2)27-28-19(11)17(29)8-13-7-14-9-16(26-20(14)25-10-13)15-5-3-4-6-18(15)30-21(22,23)24;1-11-12(2)27-28-19(11)18(29)8-13-7-14-9-17(26-20(14)25-10-13)15-5-3-4-6-16(15)21(22,23)24;1-11-12(2)24-25-19(11)18(26)5-13-4-14-7-17(23-20(14)22-8-13)15-6-16(27-3)10-21-9-15;1-11-12(2)24-25-19(11)17(26)7-13-6-14-8-16(23-20(14)22-9-13)15-10-21-5-4-18(15)27-3;1-11-4-16(10-21-8-11)17-7-15-5-14(9-22-20(15)23-17)6-18(26)19-12(2)13(3)24-25-19/h5-8,10-11H,9H2,1-4H3,(H,23,24)(H,25,26);3-7,9-10H,8H2,1-2H3,(H,25,26)(H,27,28);3-7,9-10H,8H2,1-2H3,(H,25,26)(H,27,28);4,6-10H,5H2,1-3H3,(H,22,23)(H,24,25);4-6,8-10H,7H2,1-3H3,(H,22,23)(H,24,25);4-5,7-10H,6H2,1-3H3,(H,22,23)(H,24,25)
• InChIKey: GNTPDJVFISHZRG-UHFFFAOYSA-N
• XLogP: 25.02
• TPSA: 512.94 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2239.44
LogP ≤ 5	25.02
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?

The IUPAC name of 2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (CID 158311803) is 2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.

What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?

The canonical SMILES for 2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is COc1ccncc1-c1cc2cc(CC(=O)c3n[nH]c(C)c3C)cnc2[nH]1.COc1cncc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4C(F)(F)F)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4OC(F)(F)F)cc3c2)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1.Cc1cncc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1.

What is the InChIKey of 2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?

The InChIKey is GNTPDJVFISHZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O.C21H17F3N4O2.C21H17F3N4O.2C20H19N5O2.C20H19N5O/c1-12-5-6-18(13(2)7-12)19-10-17-8-16(11-23-22(17)24-19)9-20(27)21-14(3)15(4)25-26-21;1-11-12(2)27-28-19(11)17(29)8-13-7-14-9-16(26-20(14)25-10-13)15-5-3-4-6-18(15)30-21(22,23)24;1-11-12(2)27-28-19(11)18(29)8-13-7-14-9-17(26-20(14)25-10-13)15-5-3-4-6-16(15)21(22,23)24;1-11-12(2)24-25-19(11)18(26)5-13-4-14-7-17(23-20(14)22-8-13)15-6-16(27-3)10-21-9-15;1-11-12(2)24-25-19(11)17(26)7-13-6-14-8-16(23-20(14)22-9-13)15-10-21-5-4-18(15)27-3;1-11-4-16(10-21-8-11)17-7-15-5-14(9-22-20(15)23-17)6-18(26)19-12(2)13(3)24-25-19/h5-8,10-11H,9H2,1-4H3,(H,23,24)(H,25,26);3-7,9-10H,8H2,1-2H3,(H,25,26)(H,27,28);3-7,9-10H,8H2,1-2H3,(H,25,26)(H,27,28);4,6-10H,5H2,1-3H3,(H,22,23)(H,24,25);4-6,8-10H,7H2,1-3H3,(H,22,23)(H,24,25);4-5,7-10H,6H2,1-3H3,(H,22,23)(H,24,25).

What are the key properties of 2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?

2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone has a molecular weight of 2239.44 g/mol, XLogP of 25.02, 27 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 158311803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).