2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine

C108H115BrF4N26O2S4 — CID 159747490

About 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine

2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine (PubChem CID 159747490) has the molecular formula C108H115BrF4N26O2S4 and a molecular weight of 2093.45 g/mol. Its IUPAC name is 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine.

Molecular Properties

• Compound Name: 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine
• PubChem CID: 159747490
• Molecular Formula: C108H115BrF4N26O2S4
• Molecular Weight: 2093.45 g/mol
• Exact Mass: 2090.77
• IUPAC Name: 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine
• SMILES: C1CCNCC1.CCc1nn2cc(C)c(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(C)c(N3CCCCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(C)c(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1cc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(C)c(N3CCNCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C31H34FN7O2S.C26H27FN6S.C25H26FN7S.C21H17BrFN5S.C5H11N/c1-4-25-31(35(3)30-13-24(28(15-33)42-30)21-5-7-22(32)8-6-21)27-14-26(20(2)16-39(27)34-25)37-11-9-36(10-12-37)19-29(41)38-17-23(40)18-38;1-4-20-25(22-14-21(17(2)16-33(22)30-20)32-12-6-5-7-13-32)31(3)26-29-24(23(15-28)34-26)18-8-10-19(27)11-9-18;1-4-19-24(21-13-20(16(2)15-33(21)30-19)32-11-9-28-10-12-32)31(3)25-29-23(22(14-27)34-25)17-5-7-18(26)8-6-17;1-4-16-20(17-9-15(22)12(2)11-28(17)26-16)27(3)21-25-19(18(10-24)29-21)13-5-7-14(23)8-6-13;1-2-4-6-5-3-1/h5-8,13-14,16,23,40H,4,9-12,17-19H2,1-3H3;8-11,14,16H,4-7,12-13H2,1-3H3;5-8,13,15,28H,4,9-12H2,1-3H3;5-9,11H,4H2,1-3H3;6H,1-5H2
• InChIKey: NDFMCFVJWBPZTC-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 293.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2093.45
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?

The IUPAC name of 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine (CID 159747490) is 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine.

What is the SMILES notation for 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?

The canonical SMILES for 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine is C1CCNCC1.CCc1nn2cc(C)c(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(C)c(N3CCCCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(C)c(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1cc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(C)c(N3CCNCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?

The InChIKey is NDFMCFVJWBPZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN7O2S.C26H27FN6S.C25H26FN7S.C21H17BrFN5S.C5H11N/c1-4-25-31(35(3)30-13-24(28(15-33)42-30)21-5-7-22(32)8-6-21)27-14-26(20(2)16-39(27)34-25)37-11-9-36(10-12-37)19-29(41)38-17-23(40)18-38;1-4-20-25(22-14-21(17(2)16-33(22)30-20)32-12-6-5-7-13-32)31(3)26-29-24(23(15-28)34-26)18-8-10-19(27)11-9-18;1-4-19-24(21-13-20(16(2)15-33(21)30-19)32-11-9-28-10-12-32)31(3)25-29-23(22(14-27)34-25)17-5-7-18(26)8-6-17;1-4-16-20(17-9-15(22)12(2)11-28(17)26-16)27(3)21-25-19(18(10-24)29-21)13-5-7-14(23)8-6-13;1-2-4-6-5-3-1/h5-8,13-14,16,23,40H,4,9-12,17-19H2,1-3H3;8-11,14,16H,4-7,12-13H2,1-3H3;5-8,13,15,28H,4,9-12H2,1-3H3;5-9,11H,4H2,1-3H3;6H,1-5H2.

What are the key properties of 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?

2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine has a molecular weight of 2093.45 g/mol, XLogP of 21.28, 21 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-3-(4-fluorophenyl)thiophene-2-carbonitrile;2-[(2-ethyl-6-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine is sourced from PubChem (CID 159747490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).