[2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone

C116H115Cl11F6N16O9 — CID 161145672

About [2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone

[2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 161145672) has the molecular formula C116H115Cl11F6N16O9 and a molecular weight of 2381.27 g/mol. Its IUPAC name is [2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
• PubChem CID: 161145672
• Molecular Formula: C116H115Cl11F6N16O9
• Molecular Weight: 2381.27 g/mol
• Exact Mass: 2374.55
• IUPAC Name: [2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
• SMILES: Cc1cc(C#N)nc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C4CCC4)CC3)c1Cl)n2C.Cc1cc(C(C)(F)F)nc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C.Cc1cc(Cl)nc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCCCC3)c1Cl)n2C.Cn1c(C(O)c2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2nc(C(C)(F)F)ccc21.Cn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2ncc(C(C)(F)F)cc21
• InChI: InChI=1S/C27H28Cl2N4O.C23H23Cl2F2N3O2.C22H22Cl3N3O.C22H21Cl2F2N3O3.C22H21Cl2F2N3O2/c1-16-12-19(15-30)31-26-22(16)13-20(32(26)2)14-23-24(28)7-6-21(25(23)29)27(34)33-10-8-18(9-11-33)17-4-3-5-17;1-13-10-19(23(2,26)27)28-21-16(13)11-14(29(21)3)12-17-18(24)5-4-15(20(17)25)22(31)30-6-8-32-9-7-30;1-13-10-19(24)26-21-16(13)11-14(27(21)2)12-17-18(23)7-6-15(20(17)25)22(29)28-8-4-3-5-9-28;1-22(25,26)17-6-5-15-14(27-17)11-16(28(15)2)20(30)18-13(23)4-3-12(19(18)24)21(31)29-7-9-32-10-8-29;1-22(25,26)13-9-19-18(27-12-13)11-14(28(19)2)10-16-17(23)4-3-15(20(16)24)21(30)29-5-7-31-8-6-29/h6-7,12-13,17-18H,3-5,8-11,14H2,1-2H3;4-5,10-11H,6-9,12H2,1-3H3;6-7,10-11H,3-5,8-9,12H2,1-2H3;3-6,11,20,30H,7-10H2,1-2H3;3-4,9,11-12H,5-8,10H2,1-2H3
• InChIKey: UOAAIYYFBWYDOF-UHFFFAOYSA-N
• XLogP: 27.33
• TPSA: 262.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2381.27
LogP ≤ 5	27.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?

The IUPAC name of [2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone (CID 161145672) is [2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for [2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?

The canonical SMILES for [2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone is Cc1cc(C#N)nc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C4CCC4)CC3)c1Cl)n2C.Cc1cc(C(C)(F)F)nc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C.Cc1cc(Cl)nc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCCCC3)c1Cl)n2C.Cn1c(C(O)c2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2nc(C(C)(F)F)ccc21.Cn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2ncc(C(C)(F)F)cc21.

What is the InChIKey of [2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?

The InChIKey is UOAAIYYFBWYDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N4O.C23H23Cl2F2N3O2.C22H22Cl3N3O.C22H21Cl2F2N3O3.C22H21Cl2F2N3O2/c1-16-12-19(15-30)31-26-22(16)13-20(32(26)2)14-23-24(28)7-6-21(25(23)29)27(34)33-10-8-18(9-11-33)17-4-3-5-17;1-13-10-19(23(2,26)27)28-21-16(13)11-14(29(21)3)12-17-18(24)5-4-15(20(17)25)22(31)30-6-8-32-9-7-30;1-13-10-19(24)26-21-16(13)11-14(27(21)2)12-17-18(23)7-6-15(20(17)25)22(29)28-8-4-3-5-9-28;1-22(25,26)17-6-5-15-14(27-17)11-16(28(15)2)20(30)18-13(23)4-3-12(19(18)24)21(31)29-7-9-32-10-8-29;1-22(25,26)13-9-19-18(27-12-13)11-14(28(19)2)10-16-17(23)4-3-15(20(16)24)21(30)29-5-7-31-8-6-29/h6-7,12-13,17-18H,3-5,8-11,14H2,1-2H3;4-5,10-11H,6-9,12H2,1-3H3;6-7,10-11H,3-5,8-9,12H2,1-2H3;3-6,11,20,30H,7-10H2,1-2H3;3-4,9,11-12H,5-8,10H2,1-2H3.

What are the key properties of [2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?

[2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 2381.27 g/mol, XLogP of 27.33, 19 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dichloro-3-[(6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]-hydroxymethyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 161145672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).