3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

C125H87F6N13O7 — CID 160638545

IUPAC3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.FC(F)(F)Oc1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.FC(F)(F)Oc1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cncnc4)c3c2)cc1
InChIInChI=1S/2C26H17F3N2O2.C26H20N2O.C24H17N3O.C23H16N4O/c27-26(28,29)33-20-10-6-7-17(13-20)23-16-31-25-22(23)14-18(15-30-25)21-11-4-5-12-24(21)32-19-8-2-1-3-9-19;27-26(28,29)33-20-12-10-17(11-13-20)23-16-31-25-22(23)14-18(15-30-25)21-8-4-5-9-24(21)32-19-6-2-1-3-7-19;1-18-11-13-19(14-12-18)24-17-28-26-23(24)15-20(16-27-26)22-9-5-6-10-25(22)29-21-7-3-2-4-8-21;1-2-6-19(7-3-1)28-23-9-5-4-8-20(23)18-14-21-22(16-27-24(21)26-15-18)17-10-12-25-13-11-17;1-2-6-18(7-3-1)28-22-9-5-4-8-19(22)16-10-20-21(14-27-23(20)26-13-16)17-11-24-15-25-12-17/h2*1-16H,(H,30,31);2-17H,1H3,(H,27,28);1-16H,(H,26,27);1-15H,(H,26,27)
InChIKeyRIWBUQDUPLFEAR-UHFFFAOYSA-N
MW1997.14 g/mol
LogP33.74
Rot. Bonds22

About 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 160638545) has the molecular formula C125H87F6N13O7 and a molecular weight of 1997.14 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID160638545
Molecular FormulaC125H87F6N13O7
Molecular Weight1997.14 g/mol
Exact Mass1995.68
IUPAC Name3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.FC(F)(F)Oc1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.FC(F)(F)Oc1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cncnc4)c3c2)cc1
InChIInChI=1S/2C26H17F3N2O2.C26H20N2O.C24H17N3O.C23H16N4O/c27-26(28,29)33-20-10-6-7-17(13-20)23-16-31-25-22(23)14-18(15-30-25)21-11-4-5-12-24(21)32-19-8-2-1-3-9-19;27-26(28,29)33-20-12-10-17(11-13-20)23-16-31-25-22(23)14-18(15-30-25)21-8-4-5-9-24(21)32-19-6-2-1-3-7-19;1-18-11-13-19(14-12-18)24-17-28-26-23(24)15-20(16-27-26)22-9-5-6-10-25(22)29-21-7-3-2-4-8-21;1-2-6-19(7-3-1)28-23-9-5-4-8-20(23)18-14-21-22(16-27-24(21)26-15-18)17-10-12-25-13-11-17;1-2-6-18(7-3-1)28-22-9-5-4-8-19(22)16-10-20-21(14-27-23(20)26-13-16)17-11-24-15-25-12-17/h2*1-16H,(H,30,31);2-17H,1H3,(H,27,28);1-16H,(H,26,27);1-15H,(H,26,27)
InChIKeyRIWBUQDUPLFEAR-UHFFFAOYSA-N
XLogP33.74
TPSA246.68 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001997.14
LogP ≤ 533.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 160638545) is 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is Cc1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.FC(F)(F)Oc1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.FC(F)(F)Oc1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cncnc4)c3c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RIWBUQDUPLFEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H17F3N2O2.C26H20N2O.C24H17N3O.C23H16N4O/c27-26(28,29)33-20-10-6-7-17(13-20)23-16-31-25-22(23)14-18(15-30-25)21-11-4-5-12-24(21)32-19-8-2-1-3-9-19;27-26(28,29)33-20-12-10-17(11-13-20)23-16-31-25-22(23)14-18(15-30-25)21-8-4-5-9-24(21)32-19-6-2-1-3-7-19;1-18-11-13-19(14-12-18)24-17-28-26-23(24)15-20(16-27-26)22-9-5-6-10-25(22)29-21-7-3-2-4-8-21;1-2-6-19(7-3-1)28-23-9-5-4-8-20(23)18-14-21-22(16-27-24(21)26-15-18)17-10-12-25-13-11-17;1-2-6-18(7-3-1)28-22-9-5-4-8-19(22)16-10-20-21(14-27-23(20)26-13-16)17-11-24-15-25-12-17/h2*1-16H,(H,30,31);2-17H,1H3,(H,27,28);1-16H,(H,26,27);1-15H,(H,26,27).
What are the key properties of 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1997.14 g/mol, XLogP of 33.74, 22 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 160638545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).