2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid

C110H111BrClF11N28O6S4 — CID 161295532

About 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid

2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid (PubChem CID 161295532) has the molecular formula C110H111BrClF11N28O6S4 and a molecular weight of 2373.89 g/mol. Its IUPAC name is 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid
• PubChem CID: 161295532
• Molecular Formula: C110H111BrClF11N28O6S4
• Molecular Weight: 2373.89 g/mol
• Exact Mass: 2370.68
• IUPAC Name: 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid
• SMILES: C1CCNCC1.CCc1nn2cc(F)c(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CCCCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CCNCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.O=C(CCl)N1CC(O)C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C29H30F2N8O2S.C25H24F2N6S.C24H23F2N7S.C20H14BrF2N5S.C5H8ClNO2.C5H11N.C2HF3O2/c1-3-22-28(35(2)29-33-27(25(13-32)42-29)18-4-6-19(30)7-5-18)24-12-23(21(31)16-39(24)34-22)37-10-8-36(9-11-37)17-26(41)38-14-20(40)15-38;1-3-19-24(21-13-20(18(27)15-33(21)30-19)32-11-5-4-6-12-32)31(2)25-29-23(22(14-28)34-25)16-7-9-17(26)10-8-16;1-3-18-23(20-12-19(17(26)14-33(20)30-18)32-10-8-28-9-11-32)31(2)24-29-22(21(13-27)34-24)15-4-6-16(25)7-5-15;1-3-15-19(16-8-13(21)14(23)10-28(16)26-15)27(2)20-25-18(17(9-24)29-20)11-4-6-12(22)7-5-11;6-1-5(9)7-2-4(8)3-7;1-2-4-6-5-3-1;3-2(4,5)1(6)7/h4-7,12,16,20,40H,3,8-11,14-15,17H2,1-2H3;7-10,13,15H,3-6,11-12H2,1-2H3;4-7,12,14,28H,3,8-11H2,1-2H3;4-8,10H,3H2,1-2H3;4,8H,1-3H2;6H,1-5H2;(H,6,7)
• InChIKey: WGTVKCDIUPAHEH-UHFFFAOYSA-N
• XLogP: 20.06
• TPSA: 384.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2373.89
LogP ≤ 5	20.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid (CID 161295532) is 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid is C1CCNCC1.CCc1nn2cc(F)c(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CCCCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CCNCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.O=C(CCl)N1CC(O)C1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid?

The InChIKey is WGTVKCDIUPAHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N8O2S.C25H24F2N6S.C24H23F2N7S.C20H14BrF2N5S.C5H8ClNO2.C5H11N.C2HF3O2/c1-3-22-28(35(2)29-33-27(25(13-32)42-29)18-4-6-19(30)7-5-18)24-12-23(21(31)16-39(24)34-22)37-10-8-36(9-11-37)17-26(41)38-14-20(40)15-38;1-3-19-24(21-13-20(18(27)15-33(21)30-19)32-11-5-4-6-12-32)31(2)25-29-23(22(14-28)34-25)16-7-9-17(26)10-8-16;1-3-18-23(20-12-19(17(26)14-33(20)30-18)32-10-8-28-9-11-32)31(2)24-29-22(21(13-27)34-24)15-4-6-16(25)7-5-15;1-3-15-19(16-8-13(21)14(23)10-28(16)26-15)27(2)20-25-18(17(9-24)29-20)11-4-6-12(22)7-5-11;6-1-5(9)7-2-4(8)3-7;1-2-4-6-5-3-1;3-2(4,5)1(6)7/h4-7,12,16,20,40H,3,8-11,14-15,17H2,1-2H3;7-10,13,15H,3-6,11-12H2,1-2H3;4-7,12,14,28H,3,8-11H2,1-2H3;4-8,10H,3H2,1-2H3;4,8H,1-3H2;6H,1-5H2;(H,6,7).

What are the key properties of 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid?

2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 2373.89 g/mol, XLogP of 20.06, 22 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-6-fluoro-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161295532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).