3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine

C90H97F4N33O2S2 — CID 159300815

About 3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine

3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine (PubChem CID 159300815) has the molecular formula C90H97F4N33O2S2 and a molecular weight of 1813.12 g/mol. Its IUPAC name is 3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
• PubChem CID: 159300815
• Molecular Formula: C90H97F4N33O2S2
• Molecular Weight: 1813.12 g/mol
• Exact Mass: 1811.79
• IUPAC Name: 3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
• SMILES: CCN(CC)CCOc1ccc(-n2nnnc2-c2cc(-c3ccccc3OC)cnc2N)c(F)c1C.Cc1c(N2CCNCC2)ccc(-n2nnnc2-c2cc(-c3ccsc3)cnc2N)c1F.Cc1c(N2CCNCC2)ccc(-n2nnnc2-c2cc(-c3cnn(C)c3)cnc2N)c1F.Cc1csc(-c2cnc(N)c(-c3nnnn3-c3ccc(N4CCNCC4)c(C)c3F)c2)c1
• InChI: InChI=1S/C26H30FN7O2.C22H23FN8S.C21H23FN10.C21H21FN8S/c1-5-33(6-2)13-14-36-22-12-11-21(24(27)17(22)3)34-26(30-31-32-34)20-15-18(16-29-25(20)28)19-9-7-8-10-23(19)35-4;1-13-9-19(32-12-13)15-10-16(21(24)26-11-15)22-27-28-29-31(22)18-4-3-17(14(2)20(18)23)30-7-5-25-6-8-30;1-13-17(31-7-5-24-6-8-31)3-4-18(19(13)22)32-21(27-28-29-32)16-9-14(10-25-20(16)23)15-11-26-30(2)12-15;1-13-17(29-7-5-24-6-8-29)2-3-18(19(13)22)30-21(26-27-28-30)16-10-15(11-25-20(16)23)14-4-9-31-12-14/h7-12,15-16H,5-6,13-14H2,1-4H3,(H2,28,29);3-4,9-12,25H,5-8H2,1-2H3,(H2,24,26);3-4,9-12,24H,5-8H2,1-2H3,(H2,23,25);2-4,9-12,24H,5-8H2,1H3,(H2,23,25)
• InChIKey: LBHRILXJNZNOLR-UHFFFAOYSA-N
• XLogP: 11.81
• TPSA: 415.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1813.12
LogP ≤ 5	11.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine?

The IUPAC name of 3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine (CID 159300815) is 3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine.

What is the SMILES notation for 3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine?

The canonical SMILES for 3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine is CCN(CC)CCOc1ccc(-n2nnnc2-c2cc(-c3ccccc3OC)cnc2N)c(F)c1C.Cc1c(N2CCNCC2)ccc(-n2nnnc2-c2cc(-c3ccsc3)cnc2N)c1F.Cc1c(N2CCNCC2)ccc(-n2nnnc2-c2cc(-c3cnn(C)c3)cnc2N)c1F.Cc1csc(-c2cnc(N)c(-c3nnnn3-c3ccc(N4CCNCC4)c(C)c3F)c2)c1.

What is the InChIKey of 3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine?

The InChIKey is LBHRILXJNZNOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O2.C22H23FN8S.C21H23FN10.C21H21FN8S/c1-5-33(6-2)13-14-36-22-12-11-21(24(27)17(22)3)34-26(30-31-32-34)20-15-18(16-29-25(20)28)19-9-7-8-10-23(19)35-4;1-13-9-19(32-12-13)15-10-16(21(24)26-11-15)22-27-28-29-31(22)18-4-3-17(14(2)20(18)23)30-7-5-25-6-8-30;1-13-17(31-7-5-24-6-8-31)3-4-18(19(13)22)32-21(27-28-29-32)16-9-14(10-25-20(16)23)15-11-26-30(2)12-15;1-13-17(29-7-5-24-6-8-29)2-3-18(19(13)22)30-21(26-27-28-30)16-10-15(11-25-20(16)23)14-4-9-31-12-14/h7-12,15-16H,5-6,13-14H2,1-4H3,(H2,28,29);3-4,9-12,25H,5-8H2,1-2H3,(H2,24,26);3-4,9-12,24H,5-8H2,1-2H3,(H2,23,25);2-4,9-12,24H,5-8H2,1H3,(H2,23,25).

What are the key properties of 3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine?

3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine has a molecular weight of 1813.12 g/mol, XLogP of 11.81, 22 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[4-[2-(diethylamino)ethoxy]-2-fluoro-3-methylphenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-piperazin-1-ylphenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine is sourced from PubChem (CID 159300815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).