2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

C135H145N37O9 — CID 158857004

About 2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (PubChem CID 158857004) has the molecular formula C135H145N37O9 and a molecular weight of 2429.89 g/mol. Its IUPAC name is 2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
• PubChem CID: 158857004
• Molecular Formula: C135H145N37O9
• Molecular Weight: 2429.89 g/mol
• Exact Mass: 2428.20
• IUPAC Name: 2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CC(n2cc(-c3cc4cc(CC(=O)c5n[nH]c(C)c5C)cnc4[nH]3)c(C)n2)C1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnn(C5CCC5)c4C)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnn(C5CCC5)c4C)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]cc(-c4cccc(N5CCOCC5)n4)c3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]cc(-c4ccnc(N5CCOCC5)c4)c3c2)c1C.Cc1nn(C2CCC2)cc1-c1cc2cc(CC(=O)c3n[nH]c(C)c3C)cnc2[nH]1
• InChI: InChI=1S/C23H25N7O2.2C23H24N6O2.3C22H24N6O/c1-12-13(2)26-27-22(12)21(32)6-16-5-17-7-20(25-23(17)24-8-16)19-11-30(28-14(19)3)18-9-29(10-18)15(4)31;1-14-15(2)27-28-22(14)20(30)10-16-9-18-19(13-26-23(18)25-12-16)17-3-4-24-21(11-17)29-5-7-31-8-6-29;1-14-15(2)27-28-22(14)20(30)11-16-10-17-18(13-25-23(17)24-12-16)19-4-3-5-21(26-19)29-6-8-31-9-7-29;1-12-13(2)25-26-21(12)20(29)8-15-7-16-9-19(24-22(16)23-10-15)18-11-28(27-14(18)3)17-5-4-6-17;2*1-12-13(2)26-27-21(12)20(29)8-15-7-16-9-19(25-22(16)23-10-15)18-11-24-28(14(18)3)17-5-4-6-17/h5,7-8,11,18H,6,9-10H2,1-4H3,(H,24,25)(H,26,27);3-4,9,11-13H,5-8,10H2,1-2H3,(H,25,26)(H,27,28);3-5,10,12-13H,6-9,11H2,1-2H3,(H,24,25)(H,27,28);7,9-11,17H,4-6,8H2,1-3H3,(H,23,24)(H,25,26);2*7,9-11,17H,4-6,8H2,1-3H3,(H,23,25)(H,26,27)
• InChIKey: JAEKASNTEUQPQS-UHFFFAOYSA-N
• XLogP: 22.03
• TPSA: 588.89 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2429.89
LogP ≤ 5	22.03
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?

The IUPAC name of 2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (CID 158857004) is 2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.

What is the SMILES notation for 2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?

The canonical SMILES for 2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is CC(=O)N1CC(n2cc(-c3cc4cc(CC(=O)c5n[nH]c(C)c5C)cnc4[nH]3)c(C)n2)C1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnn(C5CCC5)c4C)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnn(C5CCC5)c4C)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]cc(-c4cccc(N5CCOCC5)n4)c3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]cc(-c4ccnc(N5CCOCC5)c4)c3c2)c1C.Cc1nn(C2CCC2)cc1-c1cc2cc(CC(=O)c3n[nH]c(C)c3C)cnc2[nH]1.

What is the InChIKey of 2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?

The InChIKey is JAEKASNTEUQPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2.2C23H24N6O2.3C22H24N6O/c1-12-13(2)26-27-22(12)21(32)6-16-5-17-7-20(25-23(17)24-8-16)19-11-30(28-14(19)3)18-9-29(10-18)15(4)31;1-14-15(2)27-28-22(14)20(30)10-16-9-18-19(13-26-23(18)25-12-16)17-3-4-24-21(11-17)29-5-7-31-8-6-29;1-14-15(2)27-28-22(14)20(30)11-16-10-17-18(13-25-23(17)24-12-16)19-4-3-5-21(26-19)29-6-8-31-9-7-29;1-12-13(2)25-26-21(12)20(29)8-15-7-16-9-19(24-22(16)23-10-15)18-11-28(27-14(18)3)17-5-4-6-17;2*1-12-13(2)26-27-21(12)20(29)8-15-7-16-9-19(25-22(16)23-10-15)18-11-24-28(14(18)3)17-5-4-6-17/h5,7-8,11,18H,6,9-10H2,1-4H3,(H,24,25)(H,26,27);3-4,9,11-13H,5-8,10H2,1-2H3,(H,25,26)(H,27,28);3-5,10,12-13H,6-9,11H2,1-2H3,(H,24,25)(H,27,28);7,9-11,17H,4-6,8H2,1-3H3,(H,23,24)(H,25,26);2*7,9-11,17H,4-6,8H2,1-3H3,(H,23,25)(H,26,27).

What are the key properties of 2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?

2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone has a molecular weight of 2429.89 g/mol, XLogP of 22.03, 30 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1-(1-acetylazetidin-3-yl)-3-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(1-cyclobutyl-3-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;bis(2-[2-(1-cyclobutyl-5-methylpyrazol-4-yl)-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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 158857004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).