2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

C167H159Cl2N37O9 — CID 159593788

About 2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (PubChem CID 159593788) has the molecular formula C167H159Cl2N37O9 and a molecular weight of 2899.26 g/mol. Its IUPAC name is 2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
• PubChem CID: 159593788
• Molecular Formula: C167H159Cl2N37O9
• Molecular Weight: 2899.26 g/mol
• Exact Mass: 2896.25
• IUPAC Name: 2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
• SMILES: CCc1cncc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1.COc1cccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1Cl.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4Cl)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccnc(N5CCCC5)c4)cc3c2)c1C.Cc1ccccc1-c1cc2cc(CC(=O)c3n[nH]c(C)c3C)cnc2[nH]1.Cc1ccccc1-c1cc2cc(CC(=O)c3n[nH]c(C)c3C)cnc2[nH]1.Cc1cncc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1.Cc1cncc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1
• InChI: InChI=1S/C23H24N6O.C21H19ClN4O2.C21H21N5O.2C21H20N4O.C20H17ClN4O.2C20H19N5O/c1-14-15(2)27-28-22(14)20(30)10-16-9-18-11-19(26-23(18)25-13-16)17-5-6-24-21(12-17)29-7-3-4-8-29;1-11-12(2)25-26-20(11)17(27)8-13-7-14-9-16(24-21(14)23-10-13)15-5-4-6-18(28-3)19(15)22;1-4-14-5-17(11-22-9-14)18-8-16-6-15(10-23-21(16)24-18)7-19(27)20-12(2)13(3)25-26-20;2*1-12-6-4-5-7-17(12)18-10-16-8-15(11-22-21(16)23-18)9-19(26)20-13(2)14(3)24-25-20;1-11-12(2)24-25-19(11)18(26)8-13-7-14-9-17(23-20(14)22-10-13)15-5-3-4-6-16(15)21;2*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/h5-6,9,11-13H,3-4,7-8,10H2,1-2H3,(H,25,26)(H,27,28);4-7,9-10H,8H2,1-3H3,(H,23,24)(H,25,26);5-6,8-11H,4,7H2,1-3H3,(H,23,24)(H,25,26);2*4-8,10-11H,9H2,1-3H3,(H,22,23)(H,24,25);3-7,9-10H,8H2,1-2H3,(H,22,23)(H,24,25);2*4-5,7-10H,6H2,1-3H3,(H,22,23)(H,24,25)
• InChIKey: MKOKVQMFPQYKRU-UHFFFAOYSA-N
• XLogP: 33.25
• TPSA: 659.47 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2899.26
LogP ≤ 5	33.25
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?

The IUPAC name of 2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (CID 159593788) is 2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.

What is the SMILES notation for 2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?

The canonical SMILES for 2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is CCc1cncc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1.COc1cccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1Cl.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4Cl)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccnc(N5CCCC5)c4)cc3c2)c1C.Cc1ccccc1-c1cc2cc(CC(=O)c3n[nH]c(C)c3C)cnc2[nH]1.Cc1ccccc1-c1cc2cc(CC(=O)c3n[nH]c(C)c3C)cnc2[nH]1.Cc1cncc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1.Cc1cncc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1.

What is the InChIKey of 2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?

The InChIKey is MKOKVQMFPQYKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O.C21H19ClN4O2.C21H21N5O.2C21H20N4O.C20H17ClN4O.2C20H19N5O/c1-14-15(2)27-28-22(14)20(30)10-16-9-18-11-19(26-23(18)25-13-16)17-5-6-24-21(12-17)29-7-3-4-8-29;1-11-12(2)25-26-20(11)17(27)8-13-7-14-9-16(24-21(14)23-10-13)15-5-4-6-18(28-3)19(15)22;1-4-14-5-17(11-22-9-14)18-8-16-6-15(10-23-21(16)24-18)7-19(27)20-12(2)13(3)25-26-20;2*1-12-6-4-5-7-17(12)18-10-16-8-15(11-22-21(16)23-18)9-19(26)20-13(2)14(3)24-25-20;1-11-12(2)24-25-19(11)18(26)8-13-7-14-9-17(23-20(14)22-10-13)15-5-3-4-6-16(15)21;2*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/h5-6,9,11-13H,3-4,7-8,10H2,1-2H3,(H,25,26)(H,27,28);4-7,9-10H,8H2,1-3H3,(H,23,24)(H,25,26);5-6,8-11H,4,7H2,1-3H3,(H,23,24)(H,25,26);2*4-8,10-11H,9H2,1-3H3,(H,22,23)(H,24,25);3-7,9-10H,8H2,1-2H3,(H,22,23)(H,24,25);2*4-5,7-10H,6H2,1-3H3,(H,22,23)(H,24,25).

What are the key properties of 2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?

2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone has a molecular weight of 2899.26 g/mol, XLogP of 33.25, 35 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-chloro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-chlorophenyl)-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-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);bis(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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 159593788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).