3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine

C183H138Cl7F2N23O6S10 — CID 157430778

IUPAC3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESCCOc1ccccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1ccc(-c2c[nH]c3nccc(-c4ccc(C)s4)c23)cc1.COc1ccc(-c2c[nH]c3nccc(-c4ccc(Cl)s4)c23)cc1.COc1ccccc1-c1c[nH]c2nccc(-c3ccc(Cl)s3)c12.COc1ncccc1-c1c[nH]c2nccc(-c3sccc3C)c12.Cc1cc(-c2ccnc3[nH]cc(-c4cccc(Cl)c4)c23)cs1.Cc1ccsc1-c1ccnc2[nH]cc(-c3cccnc3N3CCOCC3)c12.Clc1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.Clc1cccc(-c2c[nH]c3nccc(-c4csc(Cl)c4)c23)c1.Fc1ccc(-c2c[nH]c3nccc(-c4csc(Cl)c4)c23)c(F)c1
InChIInChI=1S/C21H20N4OS.C20H18N2OS.C19H16N2OS.2C18H13ClN2OS.C18H13ClN2S.C18H15N3OS.C17H10Cl2N2S.C17H9ClF2N2S.C17H11ClN2S/c1-14-5-12-27-19(14)16-4-7-22-20-18(16)17(13-24-20)15-3-2-6-23-21(15)25-8-10-26-11-9-25;1-3-23-17-7-5-4-6-14(17)16-12-22-20-19(16)15(10-11-21-20)18-9-8-13(2)24-18;1-12-3-8-17(23-12)15-9-10-20-19-18(15)16(11-21-19)13-4-6-14(22-2)7-5-13;1-22-12-4-2-11(3-5-12)14-10-21-18-17(14)13(8-9-20-18)15-6-7-16(19)23-15;1-22-14-5-3-2-4-11(14)13-10-21-18-17(13)12(8-9-20-18)15-6-7-16(19)23-15;1-11-7-13(10-22-11)15-5-6-20-18-17(15)16(9-21-18)12-3-2-4-14(19)8-12;1-11-6-9-23-16(11)13-5-8-19-17-15(13)14(10-21-17)12-4-3-7-20-18(12)22-2;18-12-3-1-2-10(6-12)14-8-21-17-16(14)13(4-5-20-17)11-7-15(19)22-9-11;18-15-5-9(8-23-15)11-3-4-21-17-16(11)13(7-22-17)12-2-1-10(19)6-14(12)20;18-13-3-1-2-11(8-13)15-9-20-17-16(15)14(4-6-19-17)12-5-7-21-10-12/h2-7,12-13H,8-11H2,1H3,(H,22,24);4-12H,3H2,1-2H3,(H,21,22);3-11H,1-2H3,(H,20,21);2*2-10H,1H3,(H,20,21);2-10H,1H3,(H,20,21);3-10H,1-2H3,(H,19,21);1-9H,(H,20,21);1-8H,(H,21,22);1-10H,(H,19,20)
InChIKeyBQMVDQTTXPHSIC-UHFFFAOYSA-N
MW3362.11 g/mol
LogP55.04
Rot. Bonds27

About 3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine

3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine (PubChem CID 157430778) has the molecular formula C183H138Cl7F2N23O6S10 and a molecular weight of 3362.11 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine
PubChem CID157430778
Molecular FormulaC183H138Cl7F2N23O6S10
Molecular Weight3362.11 g/mol
Exact Mass3355.62
IUPAC Name3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESCCOc1ccccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1ccc(-c2c[nH]c3nccc(-c4ccc(C)s4)c23)cc1.COc1ccc(-c2c[nH]c3nccc(-c4ccc(Cl)s4)c23)cc1.COc1ccccc1-c1c[nH]c2nccc(-c3ccc(Cl)s3)c12.COc1ncccc1-c1c[nH]c2nccc(-c3sccc3C)c12.Cc1cc(-c2ccnc3[nH]cc(-c4cccc(Cl)c4)c23)cs1.Cc1ccsc1-c1ccnc2[nH]cc(-c3cccnc3N3CCOCC3)c12.Clc1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.Clc1cccc(-c2c[nH]c3nccc(-c4csc(Cl)c4)c23)c1.Fc1ccc(-c2c[nH]c3nccc(-c4csc(Cl)c4)c23)c(F)c1
InChIInChI=1S/C21H20N4OS.C20H18N2OS.C19H16N2OS.2C18H13ClN2OS.C18H13ClN2S.C18H15N3OS.C17H10Cl2N2S.C17H9ClF2N2S.C17H11ClN2S/c1-14-5-12-27-19(14)16-4-7-22-20-18(16)17(13-24-20)15-3-2-6-23-21(15)25-8-10-26-11-9-25;1-3-23-17-7-5-4-6-14(17)16-12-22-20-19(16)15(10-11-21-20)18-9-8-13(2)24-18;1-12-3-8-17(23-12)15-9-10-20-19-18(15)16(11-21-19)13-4-6-14(22-2)7-5-13;1-22-12-4-2-11(3-5-12)14-10-21-18-17(14)13(8-9-20-18)15-6-7-16(19)23-15;1-22-14-5-3-2-4-11(14)13-10-21-18-17(13)12(8-9-20-18)15-6-7-16(19)23-15;1-11-7-13(10-22-11)15-5-6-20-18-17(15)16(9-21-18)12-3-2-4-14(19)8-12;1-11-6-9-23-16(11)13-5-8-19-17-15(13)14(10-21-17)12-4-3-7-20-18(12)22-2;18-12-3-1-2-10(6-12)14-8-21-17-16(14)13(4-5-20-17)11-7-15(19)22-9-11;18-15-5-9(8-23-15)11-3-4-21-17-16(11)13(7-22-17)12-2-1-10(19)6-14(12)20;18-13-3-1-2-11(8-13)15-9-20-17-16(15)14(4-6-19-17)12-5-7-21-10-12/h2-7,12-13H,8-11H2,1H3,(H,22,24);4-12H,3H2,1-2H3,(H,21,22);3-11H,1-2H3,(H,20,21);2*2-10H,1H3,(H,20,21);2-10H,1H3,(H,20,21);3-10H,1-2H3,(H,19,21);1-9H,(H,20,21);1-8H,(H,21,22);1-10H,(H,19,20)
InChIKeyBQMVDQTTXPHSIC-UHFFFAOYSA-N
XLogP55.04
TPSA371.20 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms231
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003362.11
LogP ≤ 555.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine (CID 157430778) is 3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine is CCOc1ccccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1ccc(-c2c[nH]c3nccc(-c4ccc(C)s4)c23)cc1.COc1ccc(-c2c[nH]c3nccc(-c4ccc(Cl)s4)c23)cc1.COc1ccccc1-c1c[nH]c2nccc(-c3ccc(Cl)s3)c12.COc1ncccc1-c1c[nH]c2nccc(-c3sccc3C)c12.Cc1cc(-c2ccnc3[nH]cc(-c4cccc(Cl)c4)c23)cs1.Cc1ccsc1-c1ccnc2[nH]cc(-c3cccnc3N3CCOCC3)c12.Clc1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.Clc1cccc(-c2c[nH]c3nccc(-c4csc(Cl)c4)c23)c1.Fc1ccc(-c2c[nH]c3nccc(-c4csc(Cl)c4)c23)c(F)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is BQMVDQTTXPHSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS.C20H18N2OS.C19H16N2OS.2C18H13ClN2OS.C18H13ClN2S.C18H15N3OS.C17H10Cl2N2S.C17H9ClF2N2S.C17H11ClN2S/c1-14-5-12-27-19(14)16-4-7-22-20-18(16)17(13-24-20)15-3-2-6-23-21(15)25-8-10-26-11-9-25;1-3-23-17-7-5-4-6-14(17)16-12-22-20-19(16)15(10-11-21-20)18-9-8-13(2)24-18;1-12-3-8-17(23-12)15-9-10-20-19-18(15)16(11-21-19)13-4-6-14(22-2)7-5-13;1-22-12-4-2-11(3-5-12)14-10-21-18-17(14)13(8-9-20-18)15-6-7-16(19)23-15;1-22-14-5-3-2-4-11(14)13-10-21-18-17(13)12(8-9-20-18)15-6-7-16(19)23-15;1-11-7-13(10-22-11)15-5-6-20-18-17(15)16(9-21-18)12-3-2-4-14(19)8-12;1-11-6-9-23-16(11)13-5-8-19-17-15(13)14(10-21-17)12-4-3-7-20-18(12)22-2;18-12-3-1-2-10(6-12)14-8-21-17-16(14)13(4-5-20-17)11-7-15(19)22-9-11;18-15-5-9(8-23-15)11-3-4-21-17-16(11)13(7-22-17)12-2-1-10(19)6-14(12)20;18-13-3-1-2-11(8-13)15-9-20-17-16(15)14(4-6-19-17)12-5-7-21-10-12/h2-7,12-13H,8-11H2,1H3,(H,22,24);4-12H,3H2,1-2H3,(H,21,22);3-11H,1-2H3,(H,20,21);2*2-10H,1H3,(H,20,21);2-10H,1H3,(H,20,21);3-10H,1-2H3,(H,19,21);1-9H,(H,20,21);1-8H,(H,21,22);1-10H,(H,19,20).
What are the key properties of 3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine?
3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 3362.11 g/mol, XLogP of 55.04, 27 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 157430778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).