3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine

C89H87F7N28O4S4 — CID 123928772

About 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)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-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine (PubChem CID 123928772) has the molecular formula C89H87F7N28O4S4 and a molecular weight of 1874.12 g/mol. Its IUPAC name is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)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-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine
• PubChem CID: 123928772
• Molecular Formula: C89H87F7N28O4S4
• Molecular Weight: 1874.12 g/mol
• Exact Mass: 1872.62
• IUPAC Name: 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine
• SMILES: CCCOc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)c(F)c1C.COc1ccc(-n2nnnc2-c2cc(-c3cc(C)c(C4CCNCC4)s3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCCNC4)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CNCCC4)cnc2N)c(F)c1F
• InChI: InChI=1S/C24H26FN7OS.C23H23F2N7OS.2C21H19F2N7OS/c1-3-10-33-19-5-4-18(22(25)14(19)2)32-24(29-30-31-32)17-11-16(13-28-23(17)26)21-12-15-6-8-27-9-7-20(15)34-21;1-12-9-18(34-21(12)13-5-7-27-8-6-13)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;1-31-15-5-4-14(18(22)19(15)23)30-21(27-28-29-30)13-7-11(10-26-20(13)24)17-8-12-9-25-6-2-3-16(12)32-17;1-31-15-5-4-14(18(22)19(15)23)30-21(27-28-29-30)13-7-12(9-26-20(13)24)16-8-11-3-2-6-25-10-17(11)32-16/h4-5,11-13,27H,3,6-10H2,1-2H3,(H2,26,28);3-4,9-11,13,27H,5-8H2,1-2H3,(H2,26,28);4-5,7-8,10,25H,2-3,6,9H2,1H3,(H2,24,26);4-5,7-9,25H,2-3,6,10H2,1H3,(H2,24,26)
• InChIKey: PPWVSINZELOQSA-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 415.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 19
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1874.12
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)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-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine (CID 123928772) is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)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-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)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-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine is CCCOc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)c(F)c1C.COc1ccc(-n2nnnc2-c2cc(-c3cc(C)c(C4CCNCC4)s3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCCNC4)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CNCCC4)cnc2N)c(F)c1F.

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

The InChIKey is PPWVSINZELOQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7OS.C23H23F2N7OS.2C21H19F2N7OS/c1-3-10-33-19-5-4-18(22(25)14(19)2)32-24(29-30-31-32)17-11-16(13-28-23(17)26)21-12-15-6-8-27-9-7-20(15)34-21;1-12-9-18(34-21(12)13-5-7-27-8-6-13)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;1-31-15-5-4-14(18(22)19(15)23)30-21(27-28-29-30)13-7-11(10-26-20(13)24)17-8-12-9-25-6-2-3-16(12)32-17;1-31-15-5-4-14(18(22)19(15)23)30-21(27-28-29-30)13-7-12(9-26-20(13)24)16-8-11-3-2-6-25-10-17(11)32-16/h4-5,11-13,27H,3,6-10H2,1-2H3,(H2,26,28);3-4,9-11,13,27H,5-8H2,1-2H3,(H2,26,28);4-5,7-8,10,25H,2-3,6,9H2,1H3,(H2,24,26);4-5,7-9,25H,2-3,6,10H2,1H3,(H2,24,26).

What are the key properties of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)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-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)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 1874.12 g/mol, XLogP of 14.77, 19 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)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 123928772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).