N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide

C208H161N25O23S — CID 159546703

IUPACN-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide
SMILESCC(=O)Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.CS(=O)Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(NC1CCCCC1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(NCCO)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(NCc1ccccc1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(Nc1ccccc1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(O)/C=C/c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.Oc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1
InChIInChI=1S/C31H23N3O3.C30H27N3O3.C30H21N3O3.C26H21N3O4.C20H14N2O3.C19H15N3O2.C18H15N3O2S.C17H13N3O.C17H12N2O2/c35-31(34-17-21-9-3-1-4-10-21)29-16-23(20-36-29)27-19-33-30-26(27)15-22(18-32-30)25-13-7-8-14-28(25)37-24-11-5-2-6-12-24;2*34-30(33-22-9-3-1-4-10-22)28-16-21(19-35-28)26-18-32-29-25(26)15-20(17-31-29)24-13-7-8-14-27(24)36-23-11-5-2-6-12-23;30-11-10-27-26(31)24-13-18(16-32-24)22-15-29-25-21(22)12-17(14-28-25)20-8-4-5-9-23(20)33-19-6-2-1-3-7-19;23-19(24)6-5-13-3-1-2-4-16(13)15-9-17-18(14-7-8-25-12-14)11-22-20(17)21-10-15;1-12(23)22-18-5-3-2-4-15(18)14-8-16-17(13-6-7-24-11-13)10-21-19(16)20-9-14;1-24(22)21-17-5-3-2-4-14(17)13-8-15-16(12-6-7-23-11-12)10-20-18(15)19-9-13;18-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-20-17(14)19-8-12;20-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-19-17(14)18-8-12/h1-16,18-20H,17H2,(H,32,33)(H,34,35);2,5-8,11-19,22H,1,3-4,9-10H2,(H,31,32)(H,33,34);1-19H,(H,31,32)(H,33,34);1-9,12-16,30H,10-11H2,(H,27,31)(H,28,29);1-12H,(H,21,22)(H,23,24);2-11H,1H3,(H,20,21)(H,22,23);2-11,21H,1H3,(H,19,20);1-10H,18H2,(H,19,20);1-10,20H,(H,18,19)/b;;;;6-5+;;;;
InChIKeyMEWQLRLDZVQHIP-XPYZLMJLSA-N
MW3410.79 g/mol
LogP48.59
Rot. Bonds41

About N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide

N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide (PubChem CID 159546703) has the molecular formula C208H161N25O23S and a molecular weight of 3410.79 g/mol. Its IUPAC name is N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide
PubChem CID159546703
Molecular FormulaC208H161N25O23S
Molecular Weight3410.79 g/mol
Exact Mass3408.19
IUPAC NameN-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide
SMILESCC(=O)Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.CS(=O)Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(NC1CCCCC1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(NCCO)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(NCc1ccccc1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(Nc1ccccc1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(O)/C=C/c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.Oc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1
InChIInChI=1S/C31H23N3O3.C30H27N3O3.C30H21N3O3.C26H21N3O4.C20H14N2O3.C19H15N3O2.C18H15N3O2S.C17H13N3O.C17H12N2O2/c35-31(34-17-21-9-3-1-4-10-21)29-16-23(20-36-29)27-19-33-30-26(27)15-22(18-32-30)25-13-7-8-14-28(25)37-24-11-5-2-6-12-24;2*34-30(33-22-9-3-1-4-10-22)28-16-21(19-35-28)26-18-32-29-25(26)15-20(17-31-29)24-13-7-8-14-27(24)36-23-11-5-2-6-12-23;30-11-10-27-26(31)24-13-18(16-32-24)22-15-29-25-21(22)12-17(14-28-25)20-8-4-5-9-23(20)33-19-6-2-1-3-7-19;23-19(24)6-5-13-3-1-2-4-16(13)15-9-17-18(14-7-8-25-12-14)11-22-20(17)21-10-15;1-12(23)22-18-5-3-2-4-15(18)14-8-16-17(13-6-7-24-11-13)10-21-19(16)20-9-14;1-24(22)21-17-5-3-2-4-14(17)13-8-15-16(12-6-7-23-11-12)10-20-18(15)19-9-13;18-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-20-17(14)19-8-12;20-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-19-17(14)18-8-12/h1-16,18-20H,17H2,(H,32,33)(H,34,35);2,5-8,11-19,22H,1,3-4,9-10H2,(H,31,32)(H,33,34);1-19H,(H,31,32)(H,33,34);1-9,12-16,30H,10-11H2,(H,27,31)(H,28,29);1-12H,(H,21,22)(H,23,24);2-11H,1H3,(H,20,21)(H,22,23);2-11,21H,1H3,(H,19,20);1-10H,18H2,(H,19,20);1-10,20H,(H,18,19)/b;;;;6-5+;;;;
InChIKeyMEWQLRLDZVQHIP-XPYZLMJLSA-N
XLogP48.59
TPSA691.68 Ų
H-Bond Donors19
H-Bond Acceptors32
Rotatable Bonds41
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003410.79
LogP ≤ 548.59
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide?
The IUPAC name of N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide (CID 159546703) is N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide?
The canonical SMILES for N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide is CC(=O)Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.CS(=O)Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(NC1CCCCC1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(NCCO)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(NCc1ccccc1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(Nc1ccccc1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(O)/C=C/c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.Oc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.
What is the InChIKey of N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide?
The InChIKey is MEWQLRLDZVQHIP-XPYZLMJLSA-N. The full InChI is InChI=1S/C31H23N3O3.C30H27N3O3.C30H21N3O3.C26H21N3O4.C20H14N2O3.C19H15N3O2.C18H15N3O2S.C17H13N3O.C17H12N2O2/c35-31(34-17-21-9-3-1-4-10-21)29-16-23(20-36-29)27-19-33-30-26(27)15-22(18-32-30)25-13-7-8-14-28(25)37-24-11-5-2-6-12-24;2*34-30(33-22-9-3-1-4-10-22)28-16-21(19-35-28)26-18-32-29-25(26)15-20(17-31-29)24-13-7-8-14-27(24)36-23-11-5-2-6-12-23;30-11-10-27-26(31)24-13-18(16-32-24)22-15-29-25-21(22)12-17(14-28-25)20-8-4-5-9-23(20)33-19-6-2-1-3-7-19;23-19(24)6-5-13-3-1-2-4-16(13)15-9-17-18(14-7-8-25-12-14)11-22-20(17)21-10-15;1-12(23)22-18-5-3-2-4-15(18)14-8-16-17(13-6-7-24-11-13)10-21-19(16)20-9-14;1-24(22)21-17-5-3-2-4-14(17)13-8-15-16(12-6-7-23-11-12)10-20-18(15)19-9-13;18-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-20-17(14)19-8-12;20-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-19-17(14)18-8-12/h1-16,18-20H,17H2,(H,32,33)(H,34,35);2,5-8,11-19,22H,1,3-4,9-10H2,(H,31,32)(H,33,34);1-19H,(H,31,32)(H,33,34);1-9,12-16,30H,10-11H2,(H,27,31)(H,28,29);1-12H,(H,21,22)(H,23,24);2-11H,1H3,(H,20,21)(H,22,23);2-11,21H,1H3,(H,19,20);1-10H,18H2,(H,19,20);1-10,20H,(H,18,19)/b;;;;6-5+;;;;.
What are the key properties of N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide?
N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide has a molecular weight of 3410.79 g/mol, XLogP of 48.59, 41 rotatable bonds, 19 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 159546703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).