3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine

C90H93F7N32O3S2 — CID 157476807

About 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine

3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine (PubChem CID 157476807) has the molecular formula C90H93F7N32O3S2 and a molecular weight of 1868.07 g/mol. Its IUPAC name is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine
• PubChem CID: 157476807
• Molecular Formula: C90H93F7N32O3S2
• Molecular Weight: 1868.07 g/mol
• Exact Mass: 1866.74
• IUPAC Name: 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine
• SMILES: CC(C)Oc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F.CCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNC(C)C4)cnc2N)c(F)c1F.Cc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNC(C)C4)cnc2N)c(F)c1C
• InChI: InChI=1S/C23H25F2N9O.C23H24FN7S.C22H23F2N9O.C22H21F2N7OS/c1-13(2)35-19-4-3-18(20(24)21(19)25)34-23(30-31-32-34)17-9-14(10-28-22(17)26)15-11-29-33(12-15)16-5-7-27-8-6-16;1-12-4-5-18(21(24)14(12)3)31-23(28-29-30-31)17-9-16(11-27-22(17)25)20-10-15-8-13(2)26-7-6-19(15)32-20;1-2-34-18-4-3-17(19(23)20(18)24)33-22(29-30-31-33)16-9-13(10-27-21(16)25)14-11-28-32(12-14)15-5-7-26-8-6-15;1-11-7-12-9-18(33-17(12)5-6-26-11)13-8-14(21(25)27-10-13)22-28-29-30-31(22)15-3-4-16(32-2)20(24)19(15)23/h3-4,9-13,16,27H,5-8H2,1-2H3,(H2,26,28);4-5,9-11,13,26H,6-8H2,1-3H3,(H2,25,27);3-4,9-12,15,26H,2,5-8H2,1H3,(H2,25,27);3-4,8-11,26H,5-7H2,1-2H3,(H2,25,27)
• InChIKey: BVRNBNDZAAWZPE-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 441.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 19
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1868.07
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine?

The IUPAC name of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine (CID 157476807) is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine.

What is the SMILES notation for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine?

The canonical SMILES for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine is CC(C)Oc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F.CCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNC(C)C4)cnc2N)c(F)c1F.Cc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNC(C)C4)cnc2N)c(F)c1C.

What is the InChIKey of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine?

The InChIKey is BVRNBNDZAAWZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N9O.C23H24FN7S.C22H23F2N9O.C22H21F2N7OS/c1-13(2)35-19-4-3-18(20(24)21(19)25)34-23(30-31-32-34)17-9-14(10-28-22(17)26)15-11-29-33(12-15)16-5-7-27-8-6-16;1-12-4-5-18(21(24)14(12)3)31-23(28-29-30-31)17-9-16(11-27-22(17)25)20-10-15-8-13(2)26-7-6-19(15)32-20;1-2-34-18-4-3-17(19(23)20(18)24)33-22(29-30-31-33)16-9-13(10-27-21(16)25)14-11-28-32(12-14)15-5-7-26-8-6-15;1-11-7-12-9-18(33-17(12)5-6-26-11)13-8-14(21(25)27-10-13)22-28-29-30-31(22)15-3-4-16(32-2)20(24)19(15)23/h3-4,9-13,16,27H,5-8H2,1-2H3,(H2,26,28);4-5,9-11,13,26H,6-8H2,1-3H3,(H2,25,27);3-4,9-12,15,26H,2,5-8H2,1H3,(H2,25,27);3-4,8-11,26H,5-7H2,1-2H3,(H2,25,27).

What are the key properties of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine?

3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine has a molecular weight of 1868.07 g/mol, XLogP of 13.20, 19 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-propan-2-yloxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(5-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine is sourced from PubChem (CID 157476807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).