3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine

C173H168F14N22O10S7 — CID 161422210

IUPAC3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine
SMILESCC(c1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)OC(F)(F)O5)c3c2)s1)N1CCCC1.CC(c1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)OC(F)(F)O5)c3c2)s1)N1CCCCC1.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCC(C)CC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCCC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCCCC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCN(C)CC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCOCC4)s3)cc12
InChIInChI=1S/C26H27F2N3OS.C25H26F2N4OS.C25H23F2N3O2S.C25H25F2N3OS.C24H21F2N3O2S.C24H23F2N3O2S.C24H23F2N3OS/c1-15-6-8-31(9-7-15)16(2)23-4-5-24(33-23)17-10-20-21(14-30-26(20)29-13-17)19-11-18(27)12-22(28)25(19)32-3;1-15(31-8-6-30(2)7-9-31)22-4-5-23(33-22)16-10-19-20(14-29-25(19)28-13-16)18-11-17(26)12-21(27)24(18)32-3;1-15(30-9-3-2-4-10-30)22-7-8-23(33-22)17-11-18-19(14-29-24(18)28-13-17)16-5-6-20-21(12-16)32-25(26,27)31-20;1-15(30-8-4-3-5-9-30)22-6-7-23(32-22)16-10-19-20(14-29-25(19)28-13-16)18-11-17(26)12-21(27)24(18)31-2;1-14(29-8-2-3-9-29)21-6-7-22(32-21)16-10-17-18(13-28-23(17)27-12-16)15-4-5-19-20(11-15)31-24(25,26)30-19;1-14(29-5-7-31-8-6-29)21-3-4-22(32-21)15-9-18-19(13-28-24(18)27-12-15)17-10-16(25)11-20(26)23(17)30-2;1-14(29-7-3-4-8-29)21-5-6-22(31-21)15-9-18-19(13-28-24(18)27-12-15)17-10-16(25)11-20(26)23(17)30-2/h4-5,10-16H,6-9H2,1-3H3,(H,29,30);4-5,10-15H,6-9H2,1-3H3,(H,28,29);5-8,11-15H,2-4,9-10H2,1H3,(H,28,29);6-7,10-15H,3-5,8-9H2,1-2H3,(H,28,29);4-7,10-14H,2-3,8-9H2,1H3,(H,27,28);3-4,9-14H,5-8H2,1-2H3,(H,27,28);5-6,9-14H,3-4,7-8H2,1-2H3,(H,27,28)
InChIKeyVWWPPIDRPGFAEK-UHFFFAOYSA-N
MW3205.83 g/mol
LogP44.69
Rot. Bonds33

About 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine

3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine (PubChem CID 161422210) has the molecular formula C173H168F14N22O10S7 and a molecular weight of 3205.83 g/mol. Its IUPAC name is 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine
PubChem CID161422210
Molecular FormulaC173H168F14N22O10S7
Molecular Weight3205.83 g/mol
Exact Mass3203.11
IUPAC Name3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine
SMILESCC(c1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)OC(F)(F)O5)c3c2)s1)N1CCCC1.CC(c1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)OC(F)(F)O5)c3c2)s1)N1CCCCC1.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCC(C)CC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCCC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCCCC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCN(C)CC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCOCC4)s3)cc12
InChIInChI=1S/C26H27F2N3OS.C25H26F2N4OS.C25H23F2N3O2S.C25H25F2N3OS.C24H21F2N3O2S.C24H23F2N3O2S.C24H23F2N3OS/c1-15-6-8-31(9-7-15)16(2)23-4-5-24(33-23)17-10-20-21(14-30-26(20)29-13-17)19-11-18(27)12-22(28)25(19)32-3;1-15(31-8-6-30(2)7-9-31)22-4-5-23(33-22)16-10-19-20(14-29-25(19)28-13-16)18-11-17(26)12-21(27)24(18)32-3;1-15(30-9-3-2-4-10-30)22-7-8-23(33-22)17-11-18-19(14-29-24(18)28-13-17)16-5-6-20-21(12-16)32-25(26,27)31-20;1-15(30-8-4-3-5-9-30)22-6-7-23(32-22)16-10-19-20(14-29-25(19)28-13-16)18-11-17(26)12-21(27)24(18)31-2;1-14(29-8-2-3-9-29)21-6-7-22(32-21)16-10-17-18(13-28-23(17)27-12-16)15-4-5-19-20(11-15)31-24(25,26)30-19;1-14(29-5-7-31-8-6-29)21-3-4-22(32-21)15-9-18-19(13-28-24(18)27-12-15)17-10-16(25)11-20(26)23(17)30-2;1-14(29-7-3-4-8-29)21-5-6-22(31-21)15-9-18-19(13-28-24(18)27-12-15)17-10-16(25)11-20(26)23(17)30-2/h4-5,10-16H,6-9H2,1-3H3,(H,29,30);4-5,10-15H,6-9H2,1-3H3,(H,28,29);5-8,11-15H,2-4,9-10H2,1H3,(H,28,29);6-7,10-15H,3-5,8-9H2,1-2H3,(H,28,29);4-7,10-14H,2-3,8-9H2,1H3,(H,27,28);3-4,9-14H,5-8H2,1-2H3,(H,27,28);5-6,9-14H,3-4,7-8H2,1-2H3,(H,27,28)
InChIKeyVWWPPIDRPGFAEK-UHFFFAOYSA-N
XLogP44.69
TPSA318.98 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds33
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003205.83
LogP ≤ 544.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine?
The IUPAC name of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine (CID 161422210) is 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine.
What is the SMILES notation for 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine?
The canonical SMILES for 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine is CC(c1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)OC(F)(F)O5)c3c2)s1)N1CCCC1.CC(c1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)OC(F)(F)O5)c3c2)s1)N1CCCCC1.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCC(C)CC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCCC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCCCC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCN(C)CC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C(C)N4CCOCC4)s3)cc12.
What is the InChIKey of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine?
The InChIKey is VWWPPIDRPGFAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3OS.C25H26F2N4OS.C25H23F2N3O2S.C25H25F2N3OS.C24H21F2N3O2S.C24H23F2N3O2S.C24H23F2N3OS/c1-15-6-8-31(9-7-15)16(2)23-4-5-24(33-23)17-10-20-21(14-30-26(20)29-13-17)19-11-18(27)12-22(28)25(19)32-3;1-15(31-8-6-30(2)7-9-31)22-4-5-23(33-22)16-10-19-20(14-29-25(19)28-13-16)18-11-17(26)12-21(27)24(18)32-3;1-15(30-9-3-2-4-10-30)22-7-8-23(33-22)17-11-18-19(14-29-24(18)28-13-17)16-5-6-20-21(12-16)32-25(26,27)31-20;1-15(30-8-4-3-5-9-30)22-6-7-23(32-22)16-10-19-20(14-29-25(19)28-13-16)18-11-17(26)12-21(27)24(18)31-2;1-14(29-8-2-3-9-29)21-6-7-22(32-21)16-10-17-18(13-28-23(17)27-12-16)15-4-5-19-20(11-15)31-24(25,26)30-19;1-14(29-5-7-31-8-6-29)21-3-4-22(32-21)15-9-18-19(13-28-24(18)27-12-15)17-10-16(25)11-20(26)23(17)30-2;1-14(29-7-3-4-8-29)21-5-6-22(31-21)15-9-18-19(13-28-24(18)27-12-15)17-10-16(25)11-20(26)23(17)30-2/h4-5,10-16H,6-9H2,1-3H3,(H,29,30);4-5,10-15H,6-9H2,1-3H3,(H,28,29);5-8,11-15H,2-4,9-10H2,1H3,(H,28,29);6-7,10-15H,3-5,8-9H2,1-2H3,(H,28,29);4-7,10-14H,2-3,8-9H2,1H3,(H,27,28);3-4,9-14H,5-8H2,1-2H3,(H,27,28);5-6,9-14H,3-4,7-8H2,1-2H3,(H,27,28).
What are the key properties of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine?
3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine has a molecular weight of 3205.83 g/mol, XLogP of 44.69, 33 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-[1-(4-methylpiperidin-1-yl)ethyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-piperidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(1-pyrrolidin-1-ylethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine is sourced from PubChem (CID 161422210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).