3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine

C110H113ClF3N37O2S4 — CID 162127918

About 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine

3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine (PubChem CID 162127918) has the molecular formula C110H113ClF3N37O2S4 and a molecular weight of 2206.09 g/mol. Its IUPAC name is 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine
• PubChem CID: 162127918
• Molecular Formula: C110H113ClF3N37O2S4
• Molecular Weight: 2206.09 g/mol
• Exact Mass: 2203.84
• IUPAC Name: 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine
• SMILES: COCc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)cc1C.Cc1cc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)cc(Cl)c1C.Cc1cc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)cc(F)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)cc1C
• InChI: InChI=1S/C22H22ClN7S.C22H23F2N9O.C22H22FN7S.C22H23N7OS.C22H23N7S/c1-12-7-16(10-18(23)13(12)2)30-22(27-28-29-30)17-8-15(11-26-21(17)24)20-9-14-3-5-25-6-4-19(14)31-20;1-34-12-13-2-3-18(20(24)19(13)23)33-22(29-30-31-33)17-8-14(9-27-21(17)25)15-10-28-32(11-15)16-4-6-26-7-5-16;1-12-7-16(10-18(23)13(12)2)30-22(27-28-29-30)17-8-15(11-26-21(17)24)20-9-14-3-5-25-6-4-19(14)31-20;1-13-9-16(3-4-18(13)30-2)29-22(26-27-28-29)17-10-15(12-25-21(17)23)20-11-14-5-7-24-8-6-19(14)31-20;1-13-3-4-17(9-14(13)2)29-22(26-27-28-29)18-10-16(12-25-21(18)23)20-11-15-5-7-24-8-6-19(15)30-20/h7-11,25H,3-6H2,1-2H3,(H2,24,26);2-3,8-11,16,26H,4-7,12H2,1H3,(H2,25,27);7-11,25H,3-6H2,1-2H3,(H2,24,26);3-4,9-12,24H,5-8H2,1-2H3,(H2,23,25);3-4,9-12,24H,5-8H2,1-2H3,(H2,23,25)
• InChIKey: ZIHAZCZZHFFOHM-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 508.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 19
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2206.09
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine?

The IUPAC name of 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine (CID 162127918) is 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine.

What is the SMILES notation for 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine?

The canonical SMILES for 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine is COCc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)cc1C.Cc1cc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)cc(Cl)c1C.Cc1cc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)cc(F)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)cc1C.

What is the InChIKey of 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine?

The InChIKey is ZIHAZCZZHFFOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7S.C22H23F2N9O.C22H22FN7S.C22H23N7OS.C22H23N7S/c1-12-7-16(10-18(23)13(12)2)30-22(27-28-29-30)17-8-15(11-26-21(17)24)20-9-14-3-5-25-6-4-19(14)31-20;1-34-12-13-2-3-18(20(24)19(13)23)33-22(29-30-31-33)17-8-14(9-27-21(17)25)15-10-28-32(11-15)16-4-6-26-7-5-16;1-12-7-16(10-18(23)13(12)2)30-22(27-28-29-30)17-8-15(11-26-21(17)24)20-9-14-3-5-25-6-4-19(14)31-20;1-13-9-16(3-4-18(13)30-2)29-22(26-27-28-29)17-10-15(12-25-21(17)23)20-11-14-5-7-24-8-6-19(14)31-20;1-13-3-4-17(9-14(13)2)29-22(26-27-28-29)18-10-16(12-25-21(18)23)20-11-15-5-7-24-8-6-19(15)30-20/h7-11,25H,3-6H2,1-2H3,(H2,24,26);2-3,8-11,16,26H,4-7,12H2,1H3,(H2,25,27);7-11,25H,3-6H2,1-2H3,(H2,24,26);3-4,9-12,24H,5-8H2,1-2H3,(H2,23,25);3-4,9-12,24H,5-8H2,1-2H3,(H2,23,25).

What are the key properties of 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine?

3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine has a molecular weight of 2206.09 g/mol, XLogP of 16.37, 19 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(methoxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3-fluoro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(4-methoxy-3-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine is sourced from PubChem (CID 162127918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).