3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine

C94H101F7N32O3S2 — CID 159669627

About 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine

3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine (PubChem CID 159669627) has the molecular formula C94H101F7N32O3S2 and a molecular weight of 1924.18 g/mol. Its IUPAC name is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine
• PubChem CID: 159669627
• Molecular Formula: C94H101F7N32O3S2
• Molecular Weight: 1924.18 g/mol
• Exact Mass: 1922.81
• IUPAC Name: 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine
• SMILES: CC(C)OCc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F.CCOCc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cc(C4CCNCC4)c(C)s3)cnc2N)c(F)c1F.Cc1ccc(-n2nnnc2-c2cc(-c3cc(C4CCNCC4)c(C)s3)cnc2N)c(F)c1C
• InChI: InChI=1S/C24H27F2N9O.C24H26FN7S.C23H25F2N9O.C23H23F2N7OS/c1-14(2)36-13-15-3-4-20(22(26)21(15)25)35-24(31-32-33-35)19-9-16(10-29-23(19)27)17-11-30-34(12-17)18-5-7-28-8-6-18;1-13-4-5-20(22(25)14(13)2)32-24(29-30-31-32)19-10-17(12-28-23(19)26)21-11-18(15(3)33-21)16-6-8-27-9-7-16;1-2-35-13-14-3-4-19(21(25)20(14)24)34-23(30-31-32-34)18-9-15(10-28-22(18)26)16-11-29-33(12-16)17-5-7-27-8-6-17;1-12-15(13-5-7-27-8-6-13)10-19(34-12)14-9-16(22(26)28-11-14)23-29-30-31-32(23)17-3-4-18(33-2)21(25)20(17)24/h3-4,9-12,14,18,28H,5-8,13H2,1-2H3,(H2,27,29);4-5,10-12,16,27H,6-9H2,1-3H3,(H2,26,28);3-4,9-12,17,27H,2,5-8,13H2,1H3,(H2,26,28);3-4,9-11,13,27H,5-8H2,1-2H3,(H2,26,28)
• InChIKey: MTVIXXSJVSJQEU-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 441.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 23
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1924.18
LogP ≤ 5	14.87
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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine?

The IUPAC name of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine (CID 159669627) is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-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-(5-methyl-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine?

The canonical SMILES for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine is CC(C)OCc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F.CCOCc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cc(C4CCNCC4)c(C)s3)cnc2N)c(F)c1F.Cc1ccc(-n2nnnc2-c2cc(-c3cc(C4CCNCC4)c(C)s3)cnc2N)c(F)c1C.

What is the InChIKey of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine?

The InChIKey is MTVIXXSJVSJQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N9O.C24H26FN7S.C23H25F2N9O.C23H23F2N7OS/c1-14(2)36-13-15-3-4-20(22(26)21(15)25)35-24(31-32-33-35)19-9-16(10-29-23(19)27)17-11-30-34(12-17)18-5-7-28-8-6-18;1-13-4-5-20(22(25)14(13)2)32-24(29-30-31-32)19-10-17(12-28-23(19)26)21-11-18(15(3)33-21)16-6-8-27-9-7-16;1-2-35-13-14-3-4-19(21(25)20(14)24)34-23(30-31-32-34)18-9-15(10-28-22(18)26)16-11-29-33(12-16)17-5-7-27-8-6-17;1-12-15(13-5-7-27-8-6-13)10-19(34-12)14-9-16(22(26)28-11-14)23-29-30-31-32(23)17-3-4-18(33-2)21(25)20(17)24/h3-4,9-12,14,18,28H,5-8,13H2,1-2H3,(H2,27,29);4-5,10-12,16,27H,6-9H2,1-3H3,(H2,26,28);3-4,9-12,17,27H,2,5-8,13H2,1H3,(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-(5-methyl-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine?

3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5-methyl-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine has a molecular weight of 1924.18 g/mol, XLogP of 14.87, 23 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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-[2,3-difluoro-4-(propan-2-yloxymethyl)phenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-(ethoxymethyl)-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-4-piperidin-4-ylthiophen-2-yl)pyridin-2-amine is sourced from PubChem (CID 159669627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).