[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

C69H53Cl3F4N6O10 — CID 157119804

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-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
SMILESCCOc1c(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
InChIInChI=1S/C24H20ClFN2O4.C23H16ClF3N2O3.C22H17ClN2O3/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;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);2-12H,13H2,1H3,(H,24,25)
InChIKeyAHVJALPMNNFFJY-UHFFFAOYSA-N
MW1308.57 g/mol
LogP16.58
Rot. Bonds21

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-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

[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 (PubChem CID 157119804) has the molecular formula C69H53Cl3F4N6O10 and a molecular weight of 1308.57 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-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.

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-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
PubChem CID157119804
Molecular FormulaC69H53Cl3F4N6O10
Molecular Weight1308.57 g/mol
Exact Mass1306.28
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-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
SMILESCCOc1c(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
InChIInChI=1S/C24H20ClFN2O4.C23H16ClF3N2O3.C22H17ClN2O3/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;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);2-12H,13H2,1H3,(H,24,25)
InChIKeyAHVJALPMNNFFJY-UHFFFAOYSA-N
XLogP16.58
TPSA201.86 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001308.57
LogP ≤ 516.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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-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 with MolForge

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Related Compounds

[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 24951651
[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]-6-fluoro-2-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58086460
[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-(2-cyclopropylethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 66889158
[3-[(4-chloro-2-fluorophenyl)methoxy]-2-(cyclopropylmethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 66889399

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-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?
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-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) 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-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.
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-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?
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-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 is 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.
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-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?
The InChIKey is AHVJALPMNNFFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O4.C23H16ClF3N2O3.C22H17ClN2O3/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;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);2-12H,13H2,1H3,(H,24,25).
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-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?
[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 has a molecular weight of 1308.57 g/mol, XLogP of 16.58, 21 rotatable bonds, 3 hydrogen bond donors, and 13 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-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 is sourced from PubChem (CID 157119804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).