2-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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

C112H115Br2F7N28O4S4 — CID 157192443

About 2-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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 157192443) has the molecular formula C112H115Br2F7N28O4S4 and a molecular weight of 2338.41 g/mol. Its IUPAC name is 2-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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: 157192443
• Molecular Formula: C112H115Br2F7N28O4S4
• Molecular Weight: 2338.41 g/mol
• Exact Mass: 2334.68
• IUPAC Name: 2-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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.Cc1cc(Br)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCCCC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCN(CC(N)=O)CC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCNCC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.NC(=O)CBr.O=C(O)C(F)(F)F
• InChI: InChI=1S/C28H29FN8OS.C27H27FN6S.C26H26FN7S.C22H17BrFN5S.C5H11N.C2H4BrNO.C2HF3O2/c1-17-13-21(36-11-9-35(10-12-36)16-24(31)38)14-22-27(26(19-3-4-19)33-37(17)22)34(2)28-32-25(23(15-30)39-28)18-5-7-20(29)8-6-18;1-17-14-21(33-12-4-3-5-13-33)15-22-26(25(19-6-7-19)31-34(17)22)32(2)27-30-24(23(16-29)35-27)18-8-10-20(28)11-9-18;1-16-13-20(33-11-9-29-10-12-33)14-21-25(24(18-3-4-18)31-34(16)21)32(2)26-30-23(22(15-28)35-26)17-5-7-19(27)8-6-17;1-12-9-15(23)10-17-21(20(14-3-4-14)27-29(12)17)28(2)22-26-19(18(11-25)30-22)13-5-7-16(24)8-6-13;1-2-4-6-5-3-1;3-1-2(4)5;3-2(4,5)1(6)7/h5-8,13-14,19H,3-4,9-12,16H2,1-2H3,(H2,31,38);8-11,14-15,19H,3-7,12-13H2,1-2H3;5-8,13-14,18,29H,3-4,9-12H2,1-2H3;5-10,14H,3-4H2,1-2H3;6H,1-5H2;1H2,(H2,4,5);(H,6,7)
• InChIKey: XWDINJDKIILPBO-UHFFFAOYSA-N
• XLogP: 22.72
• TPSA: 389.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2338.41
LogP ≤ 5	22.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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 157192443) is 2-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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.Cc1cc(Br)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCCCC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCN(CC(N)=O)CC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCNCC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.NC(=O)CBr.O=C(O)C(F)(F)F.

What is the InChIKey of 2-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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 XWDINJDKIILPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN8OS.C27H27FN6S.C26H26FN7S.C22H17BrFN5S.C5H11N.C2H4BrNO.C2HF3O2/c1-17-13-21(36-11-9-35(10-12-36)16-24(31)38)14-22-27(26(19-3-4-19)33-37(17)22)34(2)28-32-25(23(15-30)39-28)18-5-7-20(29)8-6-18;1-17-14-21(33-12-4-3-5-13-33)15-22-26(25(19-6-7-19)31-34(17)22)32(2)27-30-24(23(16-29)35-27)18-8-10-20(28)11-9-18;1-16-13-20(33-11-9-29-10-12-33)14-21-25(24(18-3-4-18)31-34(16)21)32(2)26-30-23(22(15-28)35-26)17-5-7-19(27)8-6-17;1-12-9-15(23)10-17-21(20(14-3-4-14)27-29(12)17)28(2)22-26-19(18(11-25)30-22)13-5-7-16(24)8-6-13;1-2-4-6-5-3-1;3-1-2(4)5;3-2(4,5)1(6)7/h5-8,13-14,19H,3-4,9-12,16H2,1-2H3,(H2,31,38);8-11,14-15,19H,3-7,12-13H2,1-2H3;5-8,13-14,18,29H,3-4,9-12H2,1-2H3;5-10,14H,3-4H2,1-2H3;6H,1-5H2;1H2,(H2,4,5);(H,6,7).

What are the key properties of 2-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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 2338.41 g/mol, XLogP of 22.72, 22 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromoacetamide;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]acetamide;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-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 157192443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).