[3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane

C93H75Cl4F5N8O13 — CID 157257119

IUPAC[3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane
SMILESC.CCOc1c(OCc2ccc(Cl)cc2F)cccc1C(=O)c1c[nH]c2ncc(OC)cc12.COc1c(OCc2ccc(Cl)cc2)cccc1C(=O)c1c[nH]c2ncccc12.O=C(c1cccc(OCc2ccc(Cl)cc2)c1OCC(F)(F)F)c1c[nH]c2ncccc12.O=C(c1cccc(OCc2ccc(Cl)cc2)c1OCCF)c1c[nH]c2ncccc12
InChIInChI=1S/C24H20ClFN2O4.C23H16ClF3N2O3.C23H18ClFN2O3.C22H17ClN2O3.CH4/c1-3-31-23-17(22(29)19-12-28-24-18(19)10-16(30-2)11-27-24)5-4-6-21(23)32-13-14-7-8-15(25)9-20(14)26;24-15-8-6-14(7-9-15)12-31-19-5-1-3-17(21(19)32-13-23(25,26)27)20(30)18-11-29-22-16(18)4-2-10-28-22;24-16-8-6-15(7-9-16)14-30-20-5-1-3-18(22(20)29-12-10-25)21(28)19-13-27-23-17(19)4-2-11-26-23;1-27-21-17(20(26)18-12-25-22-16(18)5-3-11-24-22)4-2-6-19(21)28-13-14-7-9-15(23)10-8-14;/h4-12H,3,13H2,1-2H3,(H,27,28);1-11H,12-13H2,(H,28,29);1-9,11,13H,10,12,14H2,(H,26,27);2-12H,13H2,1H3,(H,24,25);1H4
InChIKeyAXABQFRMHWNWBQ-UHFFFAOYSA-N
MW1749.47 g/mol
LogP22.59
Rot. Bonds29

About [3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane

[3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane (PubChem CID 157257119) has the molecular formula C93H75Cl4F5N8O13 and a molecular weight of 1749.47 g/mol. Its IUPAC name is [3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane.

Molecular Properties

Compound Name[3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane
PubChem CID157257119
Molecular FormulaC93H75Cl4F5N8O13
Molecular Weight1749.47 g/mol
Exact Mass1746.41
IUPAC Name[3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane
SMILESC.CCOc1c(OCc2ccc(Cl)cc2F)cccc1C(=O)c1c[nH]c2ncc(OC)cc12.COc1c(OCc2ccc(Cl)cc2)cccc1C(=O)c1c[nH]c2ncccc12.O=C(c1cccc(OCc2ccc(Cl)cc2)c1OCC(F)(F)F)c1c[nH]c2ncccc12.O=C(c1cccc(OCc2ccc(Cl)cc2)c1OCCF)c1c[nH]c2ncccc12
InChIInChI=1S/C24H20ClFN2O4.C23H16ClF3N2O3.C23H18ClFN2O3.C22H17ClN2O3.CH4/c1-3-31-23-17(22(29)19-12-28-24-18(19)10-16(30-2)11-27-24)5-4-6-21(23)32-13-14-7-8-15(25)9-20(14)26;24-15-8-6-14(7-9-15)12-31-19-5-1-3-17(21(19)32-13-23(25,26)27)20(30)18-11-29-22-16(18)4-2-10-28-22;24-16-8-6-15(7-9-16)14-30-20-5-1-3-18(22(20)29-12-10-25)21(28)19-13-27-23-17(19)4-2-11-26-23;1-27-21-17(20(26)18-12-25-22-16(18)5-3-11-24-22)4-2-6-19(21)28-13-14-7-9-15(23)10-8-14;/h4-12H,3,13H2,1-2H3,(H,27,28);1-11H,12-13H2,(H,28,29);1-9,11,13H,10,12,14H2,(H,26,27);2-12H,13H2,1H3,(H,24,25);1H4
InChIKeyAXABQFRMHWNWBQ-UHFFFAOYSA-N
XLogP22.59
TPSA266.07 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds29
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001749.47
LogP ≤ 522.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze [3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane with MolForge

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Related Compounds

[3-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 24953083
[3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 24953435
[3-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,2-difluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 24957005
[3-(4-Chloro-2-fluoro-benzyloxy)-2-(2-fluoro-ethoxy)-phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)-methanone
CID 58086452
[3-[(4-chlorophenyl)methoxy]-2-(2,2-difluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58086893
[3-(4-chloro-2-fluoro-benzyloxy)-2-ethoxy-phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-methanone
CID 58086972
[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58087665
[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59803844
[3-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 89901448
[3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 157119804
5-chloro-3-[[3-[(4-chlorophenyl)methoxy]-6-fluoro-2-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-(2,2-difluoroethoxy)phenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-6-fluoro-2-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 157987894
3-[(4-chloro-2-fluorophenyl)methoxy]-2-(2-fluoroethoxy)benzaldehyde;3-[[3-[(4-chloro-2-fluorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chloro-2-fluorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chloro-2-fluorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chloro-2-fluorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(4-chloro-2-fluorophenyl)methoxy]-2-hydroxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine
CID 157278313

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane?
The IUPAC name of [3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane (CID 157257119) is [3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane.
What is the SMILES notation for [3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane?
The canonical SMILES for [3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane is C.CCOc1c(OCc2ccc(Cl)cc2F)cccc1C(=O)c1c[nH]c2ncc(OC)cc12.COc1c(OCc2ccc(Cl)cc2)cccc1C(=O)c1c[nH]c2ncccc12.O=C(c1cccc(OCc2ccc(Cl)cc2)c1OCC(F)(F)F)c1c[nH]c2ncccc12.O=C(c1cccc(OCc2ccc(Cl)cc2)c1OCCF)c1c[nH]c2ncccc12.
What is the InChIKey of [3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane?
The InChIKey is AXABQFRMHWNWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O4.C23H16ClF3N2O3.C23H18ClFN2O3.C22H17ClN2O3.CH4/c1-3-31-23-17(22(29)19-12-28-24-18(19)10-16(30-2)11-27-24)5-4-6-21(23)32-13-14-7-8-15(25)9-20(14)26;24-15-8-6-14(7-9-15)12-31-19-5-1-3-17(21(19)32-13-23(25,26)27)20(30)18-11-29-22-16(18)4-2-10-28-22;24-16-8-6-15(7-9-16)14-30-20-5-1-3-18(22(20)29-12-10-25)21(28)19-13-27-23-17(19)4-2-11-26-23;1-27-21-17(20(26)18-12-25-22-16(18)5-3-11-24-22)4-2-6-19(21)28-13-14-7-9-15(23)10-8-14;/h4-12H,3,13H2,1-2H3,(H,27,28);1-11H,12-13H2,(H,28,29);1-9,11,13H,10,12,14H2,(H,26,27);2-12H,13H2,1H3,(H,24,25);1H4.
What are the key properties of [3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane?
[3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane has a molecular weight of 1749.47 g/mol, XLogP of 22.59, 29 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-[(4-chlorophenyl)methoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane is sourced from PubChem (CID 157257119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).