2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene

C56H51BrCl6F4IN7O6Si — CID 158523690

About 2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene

2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene (PubChem CID 158523690) has the molecular formula C56H51BrCl6F4IN7O6Si and a molecular weight of 1441.67 g/mol. Its IUPAC name is 2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene.

Molecular Properties

• Compound Name: 2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene
• PubChem CID: 158523690
• Molecular Formula: C56H51BrCl6F4IN7O6Si
• Molecular Weight: 1441.67 g/mol
• Exact Mass: 1437.00
• IUPAC Name: 2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene
• SMILES: COc1cc(Cl)c(F)cc1-c1c[nH]c2ncc(-c3cnc(N)c(C(=O)N(C)C)c3)c(Cl)c12.COc1cc(Cl)c(F)cc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(Cl)c12.COc1cc(Cl)c(F)cc1I.COc1ccc(F)c(Cl)c1
• InChI: InChI=1S/C22H18Cl2FN5O2.C20H22BrCl2FN2O2Si.C7H5ClFIO.C7H6ClFO/c1-30(2)22(31)12-4-10(7-27-20(12)26)13-8-28-21-18(19(13)24)14(9-29-21)11-5-16(25)15(23)6-17(11)32-3;1-27-17-8-15(22)16(24)7-12(17)13-10-26(11-28-5-6-29(2,3)4)20-18(13)19(23)14(21)9-25-20;1-11-7-2-4(8)5(9)3-6(7)10;1-10-5-2-3-7(9)6(8)4-5/h4-9H,1-3H3,(H2,26,27)(H,28,29);7-10H,5-6,11H2,1-4H3;2-3H,1H3;2-4H,1H3
• InChIKey: HMNJCTOCIOCCHE-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 151.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1441.67
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene?

The IUPAC name of 2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene (CID 158523690) is 2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene.

What is the SMILES notation for 2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene?

The canonical SMILES for 2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene is COc1cc(Cl)c(F)cc1-c1c[nH]c2ncc(-c3cnc(N)c(C(=O)N(C)C)c3)c(Cl)c12.COc1cc(Cl)c(F)cc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(Cl)c12.COc1cc(Cl)c(F)cc1I.COc1ccc(F)c(Cl)c1.

What is the InChIKey of 2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene?

The InChIKey is HMNJCTOCIOCCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2FN5O2.C20H22BrCl2FN2O2Si.C7H5ClFIO.C7H6ClFO/c1-30(2)22(31)12-4-10(7-27-20(12)26)13-8-28-21-18(19(13)24)14(9-29-21)11-5-16(25)15(23)6-17(11)32-3;1-27-17-8-15(22)16(24)7-12(17)13-10-26(11-28-5-6-29(2,3)4)20-18(13)19(23)14(21)9-25-20;1-11-7-2-4(8)5(9)3-6(7)10;1-10-5-2-3-7(9)6(8)4-5/h4-9H,1-3H3,(H2,26,27)(H,28,29);7-10H,5-6,11H2,1-4H3;2-3H,1H3;2-4H,1H3.

What are the key properties of 2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene?

2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene has a molecular weight of 1441.67 g/mol, XLogP of 17.84, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene is sourced from PubChem (CID 158523690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).