3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine

C94H98F6N28O2S4 — CID 161068153

About 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine

3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine (PubChem CID 161068153) has the molecular formula C94H98F6N28O2S4 and a molecular weight of 1894.27 g/mol. Its IUPAC name is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine
• PubChem CID: 161068153
• Molecular Formula: C94H98F6N28O2S4
• Molecular Weight: 1894.27 g/mol
• Exact Mass: 1892.72
• IUPAC Name: 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine
• SMILES: COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4(C)C)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3sc(C4CCNCC4)cc3C)cnc2N)c(F)c1F.Cc1cc(C2CCNCC2)sc1-c1cnc(N)c(-c2nnnn2-c2ccc(C)c(C)c2F)c1.Cc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4(C)C)cnc2N)c(F)c1C
• InChI: InChI=1S/2C24H26FN7S.2C23H23F2N7OS/c1-13-5-6-18(21(25)14(13)2)32-23(29-30-31-32)16-9-15(11-28-22(16)26)20-10-17-19(33-20)7-8-27-12-24(17,3)4;1-13-4-5-19(21(25)15(13)3)32-24(29-30-31-32)18-11-17(12-28-23(18)26)22-14(2)10-20(33-22)16-6-8-27-9-7-16;1-23(2)11-27-7-6-17-14(23)9-18(34-17)12-8-13(21(26)28-10-12)22-29-30-31-32(22)15-4-5-16(33-3)20(25)19(15)24;1-12-9-18(13-5-7-27-8-6-13)34-21(12)14-10-15(22(26)28-11-14)23-29-30-31-32(23)16-3-4-17(33-2)20(25)19(16)24/h5-6,9-11,27H,7-8,12H2,1-4H3,(H2,26,28);4-5,10-12,16,27H,6-9H2,1-3H3,(H2,26,28);4-5,8-10,27H,6-7,11H2,1-3H3,(H2,26,28);3-4,9-11,13,27H,5-8H2,1-2H3,(H2,26,28)
• InChIKey: UEHOWSVPYAXPPW-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 396.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 16
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1894.27
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine?

The IUPAC name of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine (CID 161068153) is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine.

What is the SMILES notation for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine?

The canonical SMILES for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine is COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4(C)C)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3sc(C4CCNCC4)cc3C)cnc2N)c(F)c1F.Cc1cc(C2CCNCC2)sc1-c1cnc(N)c(-c2nnnn2-c2ccc(C)c(C)c2F)c1.Cc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4(C)C)cnc2N)c(F)c1C.

What is the InChIKey of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine?

The InChIKey is UEHOWSVPYAXPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H26FN7S.2C23H23F2N7OS/c1-13-5-6-18(21(25)14(13)2)32-23(29-30-31-32)16-9-15(11-28-22(16)26)20-10-17-19(33-20)7-8-27-12-24(17,3)4;1-13-4-5-19(21(25)15(13)3)32-24(29-30-31-32)18-11-17(12-28-23(18)26)22-14(2)10-20(33-22)16-6-8-27-9-7-16;1-23(2)11-27-7-6-17-14(23)9-18(34-17)12-8-13(21(26)28-10-12)22-29-30-31-32(22)15-4-5-16(33-3)20(25)19(15)24;1-12-9-18(13-5-7-27-8-6-13)34-21(12)14-10-15(22(26)28-11-14)23-29-30-31-32(23)16-3-4-17(33-2)20(25)19(16)24/h5-6,9-11,27H,7-8,12H2,1-4H3,(H2,26,28);4-5,10-12,16,27H,6-9H2,1-3H3,(H2,26,28);4-5,8-10,27H,6-7,11H2,1-3H3,(H2,26,28);3-4,9-11,13,27H,5-8H2,1-2H3,(H2,26,28).

What are the key properties of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine?

3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine has a molecular weight of 1894.27 g/mol, XLogP of 16.62, 16 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;5-(4,4-dimethyl-5,6,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(3-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine is sourced from PubChem (CID 161068153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).