5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine

C93H95F5N28O5S2 — CID 158097007

IUPAC5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
SMILESCOc1ccc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN(C)C)c(C)c3F)c2)cc1.Cc1c(OCCN(C)C)ccc(-n2nnnc2-c2cc(-c3cc4ccccc4s3)cnc2N)c1F.Cc1c(OCCN(C)C)ccc(-n2nnnc2-c2cc(-c3ccc(F)cc3)cnc2N)c1F.Cc1c(OCCN(C)C)ccc(-n2nnnc2-c2cc(-c3ccsc3)cnc2N)c1F
InChIInChI=1S/C25H24FN7OS.C24H26FN7O2.C23H23F2N7O.C21H22FN7OS/c1-15-20(34-11-10-32(2)3)9-8-19(23(15)26)33-25(29-30-31-33)18-12-17(14-28-24(18)27)22-13-16-6-4-5-7-21(16)35-22;1-15-21(34-12-11-31(2)3)10-9-20(22(15)25)32-24(28-29-30-32)19-13-17(14-27-23(19)26)16-5-7-18(33-4)8-6-16;1-14-20(33-11-10-31(2)3)9-8-19(21(14)25)32-23(28-29-30-32)18-12-16(13-27-22(18)26)15-4-6-17(24)7-5-15;1-13-18(30-8-7-28(2)3)5-4-17(19(13)22)29-21(25-26-27-29)16-10-15(11-24-20(16)23)14-6-9-31-12-14/h4-9,12-14H,10-11H2,1-3H3,(H2,27,28);5-10,13-14H,11-12H2,1-4H3,(H2,26,27);4-9,12-13H,10-11H2,1-3H3,(H2,26,27);4-6,9-12H,7-8H2,1-3H3,(H2,23,24)
InChIKeyFOUGMWBWYIPRCK-UHFFFAOYSA-N
MW1844.10 g/mol
LogP14.87
Rot. Bonds29

About 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine

5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine (PubChem CID 158097007) has the molecular formula C93H95F5N28O5S2 and a molecular weight of 1844.10 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
PubChem CID158097007
Molecular FormulaC93H95F5N28O5S2
Molecular Weight1844.10 g/mol
Exact Mass1842.74
IUPAC Name5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
SMILESCOc1ccc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN(C)C)c(C)c3F)c2)cc1.Cc1c(OCCN(C)C)ccc(-n2nnnc2-c2cc(-c3cc4ccccc4s3)cnc2N)c1F.Cc1c(OCCN(C)C)ccc(-n2nnnc2-c2cc(-c3ccc(F)cc3)cnc2N)c1F.Cc1c(OCCN(C)C)ccc(-n2nnnc2-c2cc(-c3ccsc3)cnc2N)c1F
InChIInChI=1S/C25H24FN7OS.C24H26FN7O2.C23H23F2N7O.C21H22FN7OS/c1-15-20(34-11-10-32(2)3)9-8-19(23(15)26)33-25(29-30-31-33)18-12-17(14-28-24(18)27)22-13-16-6-4-5-7-21(16)35-22;1-15-21(34-12-11-31(2)3)10-9-20(22(15)25)32-24(28-29-30-32)19-13-17(14-27-23(19)26)16-5-7-18(33-4)8-6-16;1-14-20(33-11-10-31(2)3)9-8-19(21(14)25)32-23(28-29-30-32)18-12-16(13-27-22(18)26)15-4-6-17(24)7-5-15;1-13-18(30-8-7-28(2)3)5-4-17(19(13)22)29-21(25-26-27-29)16-10-15(11-24-20(16)23)14-6-9-31-12-14/h4-9,12-14H,10-11H2,1-3H3,(H2,27,28);5-10,13-14H,11-12H2,1-4H3,(H2,26,27);4-9,12-13H,10-11H2,1-3H3,(H2,26,27);4-6,9-12H,7-8H2,1-3H3,(H2,23,24)
InChIKeyFOUGMWBWYIPRCK-UHFFFAOYSA-N
XLogP14.87
TPSA389.15 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds29
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001844.10
LogP ≤ 514.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Analyze 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine with MolForge

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Related Compounds

5-(1-Benzothiophen-3-yl)-3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine
CID 46199938
5-(1-Benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine
CID 46200560
5-(1-Benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine
CID 46200883
5-(1-Benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine
CID 68034824
5-(1-Benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine
CID 68034829
5-(1-Benzothiophen-3-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine
CID 68034853
3-[1-[4-(1-Azabicyclo[2.2.2]octan-3-yloxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
CID 68034880
5-(1-Benzothiophen-2-yl)-3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine
CID 68034909
5-(1-Benzothiophen-2-yl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine
CID 68034917
5-(1-Benzothiophen-3-yl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine
CID 68034918
3-[1-[2-Fluoro-3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine
CID 68034928
5-(1-Benzothiophen-2-yl)-3-[1-[2-fluoro-3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine
CID 68034936

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine?
The IUPAC name of 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine (CID 158097007) is 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine is COc1ccc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN(C)C)c(C)c3F)c2)cc1.Cc1c(OCCN(C)C)ccc(-n2nnnc2-c2cc(-c3cc4ccccc4s3)cnc2N)c1F.Cc1c(OCCN(C)C)ccc(-n2nnnc2-c2cc(-c3ccc(F)cc3)cnc2N)c1F.Cc1c(OCCN(C)C)ccc(-n2nnnc2-c2cc(-c3ccsc3)cnc2N)c1F.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine?
The InChIKey is FOUGMWBWYIPRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7OS.C24H26FN7O2.C23H23F2N7O.C21H22FN7OS/c1-15-20(34-11-10-32(2)3)9-8-19(23(15)26)33-25(29-30-31-33)18-12-17(14-28-24(18)27)22-13-16-6-4-5-7-21(16)35-22;1-15-21(34-12-11-31(2)3)10-9-20(22(15)25)32-24(28-29-30-32)19-13-17(14-27-23(19)26)16-5-7-18(33-4)8-6-16;1-14-20(33-11-10-31(2)3)9-8-19(21(14)25)32-23(28-29-30-32)18-12-16(13-27-22(18)26)15-4-6-17(24)7-5-15;1-13-18(30-8-7-28(2)3)5-4-17(19(13)22)29-21(25-26-27-29)16-10-15(11-24-20(16)23)14-6-9-31-12-14/h4-9,12-14H,10-11H2,1-3H3,(H2,27,28);5-10,13-14H,11-12H2,1-4H3,(H2,26,27);4-9,12-13H,10-11H2,1-3H3,(H2,26,27);4-6,9-12H,7-8H2,1-3H3,(H2,23,24).
What are the key properties of 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine?
5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine has a molecular weight of 1844.10 g/mol, XLogP of 14.87, 29 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-fluorophenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(4-methoxyphenyl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine is sourced from PubChem (CID 158097007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).