5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine

C202H153Cl2FI12N32O14 — CID 158964446

IUPAC5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine
SMILESCCOC(=O)c1ccc(-c2cnc3[nH]cc(I)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(Cl)c3c2)cc1Cl.COC(OC)c1ccccc1-c1cnc2[nH]cc(I)c2c1.COc1ccc(-c2cnc3[nH]cc(I)c3c2)cc1.COc1ccc(-c2cnc3[nH]cc(I)c3c2)cc1OC.COc1ccccc1-c1cnc2[nH]cc(I)c2c1.Fc1ccc(-c2cnc3[nH]cc(I)c3c2)cc1.Ic1c[nH]c2ncc(-c3ccc(N4CCOCC4)cc3)cc12.Ic1c[nH]c2ncc(-c3ccc4c(c3)OCO4)cc12.Ic1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12.Ic1c[nH]c2ncc(-c3ccccc3Oc3ncccn3)cc12.Ic1c[nH]c2ncc(-c3cccnc3Oc3ccccc3)cc12.N#Cc1ccc(-c2cnc3[nH]cc(I)c3c2)cc1
InChIInChI=1S/C19H13IN2O.C18H12IN3O.C17H11IN4O.C17H16IN3O.C16H15IN2O2.C16H13IN2O2.C15H13Cl2N3.C15H13IN2O2.C14H8IN3.C14H9IN2O2.2C14H11IN2O.C13H8FIN2/c20-17-12-22-19-16(17)10-13(11-21-19)15-8-4-5-9-18(15)23-14-6-2-1-3-7-14;19-16-11-22-17-15(16)9-12(10-21-17)14-7-4-8-20-18(14)23-13-5-2-1-3-6-13;18-14-10-22-16-13(14)8-11(9-21-16)12-4-1-2-5-15(12)23-17-19-6-3-7-20-17;18-16-11-20-17-15(16)9-13(10-19-17)12-1-3-14(4-2-12)21-5-7-22-8-6-21;1-20-16(21-2)12-6-4-3-5-11(12)10-7-13-14(17)9-19-15(13)18-8-10;1-2-21-16(20)11-5-3-10(4-6-11)12-7-13-14(17)9-19-15(13)18-8-12;1-20(2)14-4-3-9(6-12(14)16)10-5-11-13(17)8-19-15(11)18-7-10;1-19-13-4-3-9(6-14(13)20-2)10-5-11-12(16)8-18-15(11)17-7-10;15-13-8-18-14-12(13)5-11(7-17-14)10-3-1-9(6-16)2-4-10;15-11-6-17-14-10(11)3-9(5-16-14)8-1-2-12-13(4-8)19-7-18-12;1-18-11-4-2-9(3-5-11)10-6-12-13(15)8-17-14(12)16-7-10;1-18-13-5-3-2-4-10(13)9-6-11-12(15)8-17-14(11)16-7-9;14-10-3-1-8(2-4-10)9-5-11-12(15)7-17-13(11)16-6-9/h1-12H,(H,21,22);1-11H,(H,21,22);1-10H,(H,21,22);1-4,9-11H,5-8H2,(H,19,20);3-9,16H,1-2H3,(H,18,19);3-9H,2H2,1H3,(H,18,19);3-8H,1-2H3,(H,18,19);3-8H,1-2H3,(H,17,18);1-5,7-8H,(H,17,18);1-6H,7H2,(H,16,17);2*2-8H,1H3,(H,16,17);1-7H,(H,16,17)
InChIKeyJNABZRCQAKXRKE-UHFFFAOYSA-N
MW4865.41 g/mol
LogP54.26
Rot. Bonds30

About 5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine

5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine (PubChem CID 158964446) has the molecular formula C202H153Cl2FI12N32O14 and a molecular weight of 4865.41 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine
PubChem CID158964446
Molecular FormulaC202H153Cl2FI12N32O14
Molecular Weight4865.41 g/mol
Exact Mass4862.01
IUPAC Name5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine
SMILESCCOC(=O)c1ccc(-c2cnc3[nH]cc(I)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(Cl)c3c2)cc1Cl.COC(OC)c1ccccc1-c1cnc2[nH]cc(I)c2c1.COc1ccc(-c2cnc3[nH]cc(I)c3c2)cc1.COc1ccc(-c2cnc3[nH]cc(I)c3c2)cc1OC.COc1ccccc1-c1cnc2[nH]cc(I)c2c1.Fc1ccc(-c2cnc3[nH]cc(I)c3c2)cc1.Ic1c[nH]c2ncc(-c3ccc(N4CCOCC4)cc3)cc12.Ic1c[nH]c2ncc(-c3ccc4c(c3)OCO4)cc12.Ic1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12.Ic1c[nH]c2ncc(-c3ccccc3Oc3ncccn3)cc12.Ic1c[nH]c2ncc(-c3cccnc3Oc3ccccc3)cc12.N#Cc1ccc(-c2cnc3[nH]cc(I)c3c2)cc1
InChIInChI=1S/C19H13IN2O.C18H12IN3O.C17H11IN4O.C17H16IN3O.C16H15IN2O2.C16H13IN2O2.C15H13Cl2N3.C15H13IN2O2.C14H8IN3.C14H9IN2O2.2C14H11IN2O.C13H8FIN2/c20-17-12-22-19-16(17)10-13(11-21-19)15-8-4-5-9-18(15)23-14-6-2-1-3-7-14;19-16-11-22-17-15(16)9-12(10-21-17)14-7-4-8-20-18(14)23-13-5-2-1-3-6-13;18-14-10-22-16-13(14)8-11(9-21-16)12-4-1-2-5-15(12)23-17-19-6-3-7-20-17;18-16-11-20-17-15(16)9-13(10-19-17)12-1-3-14(4-2-12)21-5-7-22-8-6-21;1-20-16(21-2)12-6-4-3-5-11(12)10-7-13-14(17)9-19-15(13)18-8-10;1-2-21-16(20)11-5-3-10(4-6-11)12-7-13-14(17)9-19-15(13)18-8-12;1-20(2)14-4-3-9(6-12(14)16)10-5-11-13(17)8-19-15(11)18-7-10;1-19-13-4-3-9(6-14(13)20-2)10-5-11-12(16)8-18-15(11)17-7-10;15-13-8-18-14-12(13)5-11(7-17-14)10-3-1-9(6-16)2-4-10;15-11-6-17-14-10(11)3-9(5-16-14)8-1-2-12-13(4-8)19-7-18-12;1-18-11-4-2-9(3-5-11)10-6-12-13(15)8-17-14(12)16-7-10;1-18-13-5-3-2-4-10(13)9-6-11-12(15)8-17-14(11)16-7-9;14-10-3-1-8(2-4-10)9-5-11-12(15)7-17-13(11)16-6-9/h1-12H,(H,21,22);1-11H,(H,21,22);1-10H,(H,21,22);1-4,9-11H,5-8H2,(H,19,20);3-9,16H,1-2H3,(H,18,19);3-9H,2H2,1H3,(H,18,19);3-8H,1-2H3,(H,18,19);3-8H,1-2H3,(H,17,18);1-5,7-8H,(H,17,18);1-6H,7H2,(H,16,17);2*2-8H,1H3,(H,16,17);1-7H,(H,16,17)
InChIKeyJNABZRCQAKXRKE-UHFFFAOYSA-N
XLogP54.26
TPSA578.84 Ų
H-Bond Donors13
H-Bond Acceptors33
Rotatable Bonds30
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004865.41
LogP ≤ 554.26
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine with MolForge

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Related Compounds

5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile
CID 159250509
5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridin-2-amine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
CID 159357816

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine (CID 158964446) is 5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine is CCOC(=O)c1ccc(-c2cnc3[nH]cc(I)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(Cl)c3c2)cc1Cl.COC(OC)c1ccccc1-c1cnc2[nH]cc(I)c2c1.COc1ccc(-c2cnc3[nH]cc(I)c3c2)cc1.COc1ccc(-c2cnc3[nH]cc(I)c3c2)cc1OC.COc1ccccc1-c1cnc2[nH]cc(I)c2c1.Fc1ccc(-c2cnc3[nH]cc(I)c3c2)cc1.Ic1c[nH]c2ncc(-c3ccc(N4CCOCC4)cc3)cc12.Ic1c[nH]c2ncc(-c3ccc4c(c3)OCO4)cc12.Ic1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12.Ic1c[nH]c2ncc(-c3ccccc3Oc3ncccn3)cc12.Ic1c[nH]c2ncc(-c3cccnc3Oc3ccccc3)cc12.N#Cc1ccc(-c2cnc3[nH]cc(I)c3c2)cc1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine?
The InChIKey is JNABZRCQAKXRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13IN2O.C18H12IN3O.C17H11IN4O.C17H16IN3O.C16H15IN2O2.C16H13IN2O2.C15H13Cl2N3.C15H13IN2O2.C14H8IN3.C14H9IN2O2.2C14H11IN2O.C13H8FIN2/c20-17-12-22-19-16(17)10-13(11-21-19)15-8-4-5-9-18(15)23-14-6-2-1-3-7-14;19-16-11-22-17-15(16)9-12(10-21-17)14-7-4-8-20-18(14)23-13-5-2-1-3-6-13;18-14-10-22-16-13(14)8-11(9-21-16)12-4-1-2-5-15(12)23-17-19-6-3-7-20-17;18-16-11-20-17-15(16)9-13(10-19-17)12-1-3-14(4-2-12)21-5-7-22-8-6-21;1-20-16(21-2)12-6-4-3-5-11(12)10-7-13-14(17)9-19-15(13)18-8-10;1-2-21-16(20)11-5-3-10(4-6-11)12-7-13-14(17)9-19-15(13)18-8-12;1-20(2)14-4-3-9(6-12(14)16)10-5-11-13(17)8-19-15(11)18-7-10;1-19-13-4-3-9(6-14(13)20-2)10-5-11-12(16)8-18-15(11)17-7-10;15-13-8-18-14-12(13)5-11(7-17-14)10-3-1-9(6-16)2-4-10;15-11-6-17-14-10(11)3-9(5-16-14)8-1-2-12-13(4-8)19-7-18-12;1-18-11-4-2-9(3-5-11)10-6-12-13(15)8-17-14(12)16-7-10;1-18-13-5-3-2-4-10(13)9-6-11-12(15)8-17-14(11)16-7-9;14-10-3-1-8(2-4-10)9-5-11-12(15)7-17-13(11)16-6-9/h1-12H,(H,21,22);1-11H,(H,21,22);1-10H,(H,21,22);1-4,9-11H,5-8H2,(H,19,20);3-9,16H,1-2H3,(H,18,19);3-9H,2H2,1H3,(H,18,19);3-8H,1-2H3,(H,18,19);3-8H,1-2H3,(H,17,18);1-5,7-8H,(H,17,18);1-6H,7H2,(H,16,17);2*2-8H,1H3,(H,16,17);1-7H,(H,16,17).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine?
5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine has a molecular weight of 4865.41 g/mol, XLogP of 54.26, 30 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;2-chloro-4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;5-[2-(dimethoxymethyl)phenyl]-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate;5-(4-fluorophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-phenoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile;4-[4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholine is sourced from PubChem (CID 158964446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).