3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine

C122H85Cl2N13O4 — CID 158984283

IUPAC3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)ccn1.Clc1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cn1.c1ccc(-c2cnc3[nH]cc(-c4ccccc4-c4ccccc4)c3c2)cc1.c1ccc(Oc2ccccc2-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4ccccn4)c3c2)cc1
InChIInChI=1S/C25H18N2O.C25H18N2.2C24H16ClN3O.C24H17N3O/c1-3-9-18(10-4-1)19-15-22-23(17-27-25(22)26-16-19)21-13-7-8-14-24(21)28-20-11-5-2-6-12-20;1-3-9-18(10-4-1)20-15-23-24(17-27-25(23)26-16-20)22-14-8-7-13-21(22)19-11-5-2-6-12-19;25-23-13-16(10-11-26-23)21-15-28-24-20(21)12-17(14-27-24)19-8-4-5-9-22(19)29-18-6-2-1-3-7-18;25-23-11-10-16(13-26-23)21-15-28-24-20(21)12-17(14-27-24)19-8-4-5-9-22(19)29-18-6-2-1-3-7-18;1-2-8-18(9-3-1)28-23-12-5-4-10-19(23)17-14-20-21(16-27-24(20)26-15-17)22-11-6-7-13-25-22/h1-17H,(H,26,27);1-17H,(H,26,27);2*1-15H,(H,27,28);1-16H,(H,26,27)
InChIKeyJPJMAXYANMRBFF-UHFFFAOYSA-N
MW1868.01 g/mol
LogP32.81
Rot. Bonds19

About 3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine

3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158984283) has the molecular formula C122H85Cl2N13O4 and a molecular weight of 1868.01 g/mol. Its IUPAC name is 3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID158984283
Molecular FormulaC122H85Cl2N13O4
Molecular Weight1868.01 g/mol
Exact Mass1865.62
IUPAC Name3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)ccn1.Clc1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cn1.c1ccc(-c2cnc3[nH]cc(-c4ccccc4-c4ccccc4)c3c2)cc1.c1ccc(Oc2ccccc2-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4ccccn4)c3c2)cc1
InChIInChI=1S/C25H18N2O.C25H18N2.2C24H16ClN3O.C24H17N3O/c1-3-9-18(10-4-1)19-15-22-23(17-27-25(22)26-16-19)21-13-7-8-14-24(21)28-20-11-5-2-6-12-20;1-3-9-18(10-4-1)20-15-23-24(17-27-25(23)26-16-20)22-14-8-7-13-21(22)19-11-5-2-6-12-19;25-23-13-16(10-11-26-23)21-15-28-24-20(21)12-17(14-27-24)19-8-4-5-9-22(19)29-18-6-2-1-3-7-18;25-23-11-10-16(13-26-23)21-15-28-24-20(21)12-17(14-27-24)19-8-4-5-9-22(19)29-18-6-2-1-3-7-18;1-2-8-18(9-3-1)28-23-12-5-4-10-19(23)17-14-20-21(16-27-24(20)26-15-17)22-11-6-7-13-25-22/h1-17H,(H,26,27);1-17H,(H,26,27);2*1-15H,(H,27,28);1-16H,(H,26,27)
InChIKeyJPJMAXYANMRBFF-UHFFFAOYSA-N
XLogP32.81
TPSA218.99 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001868.01
LogP ≤ 532.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 158984283) is 3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine is Clc1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)ccn1.Clc1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cn1.c1ccc(-c2cnc3[nH]cc(-c4ccccc4-c4ccccc4)c3c2)cc1.c1ccc(Oc2ccccc2-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4ccccn4)c3c2)cc1.
What is the InChIKey of 3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JPJMAXYANMRBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O.C25H18N2.2C24H16ClN3O.C24H17N3O/c1-3-9-18(10-4-1)19-15-22-23(17-27-25(22)26-16-19)21-13-7-8-14-24(21)28-20-11-5-2-6-12-20;1-3-9-18(10-4-1)20-15-23-24(17-27-25(23)26-16-20)22-14-8-7-13-21(22)19-11-5-2-6-12-19;25-23-13-16(10-11-26-23)21-15-28-24-20(21)12-17(14-27-24)19-8-4-5-9-22(19)29-18-6-2-1-3-7-18;25-23-11-10-16(13-26-23)21-15-28-24-20(21)12-17(14-27-24)19-8-4-5-9-22(19)29-18-6-2-1-3-7-18;1-2-8-18(9-3-1)28-23-12-5-4-10-19(23)17-14-20-21(16-27-24(20)26-15-17)22-11-6-7-13-25-22/h1-17H,(H,26,27);1-17H,(H,26,27);2*1-15H,(H,27,28);1-16H,(H,26,27).
What are the key properties of 3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1868.01 g/mol, XLogP of 32.81, 19 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(6-chloro-3-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158984283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).