N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide

C79H84FN31O6S3 — CID 158105694

About N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide

N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide (PubChem CID 158105694) has the molecular formula C79H84FN31O6S3 and a molecular weight of 1678.95 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide.

Molecular Properties

• Compound Name: N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide
• PubChem CID: 158105694
• Molecular Formula: C79H84FN31O6S3
• Molecular Weight: 1678.95 g/mol
• Exact Mass: 1677.64
• IUPAC Name: N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide
• SMILES: Cc1cn2c(-c3cnn(CC(=O)N=c4ccn(O)cc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4[N+](=O)[O-])c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
• InChI: InChI=1S/C27H30N10O2S.C26H27FN10OS.C26H27N11O3S/c1-18-4-3-7-34(13-18)16-22-10-25(40-33-22)32-26-27-28-12-23(37(27)14-19(2)30-26)20-11-29-35(15-20)17-24(38)31-21-5-8-36(39)9-6-21;1-17-13-37-22(18-10-30-36(14-18)16-23(38)32-21-5-6-28-11-20(21)27)12-29-26(37)25(31-17)33-24-9-19(34-39-24)15-35-7-3-2-4-8-35;1-17-13-36-21(18-10-29-35(14-18)16-23(38)31-20-5-6-27-11-22(20)37(39)40)12-28-26(36)25(30-17)32-24-9-19(33-41-24)15-34-7-3-2-4-8-34/h5-6,8-12,14-15,18,39H,3-4,7,13,16-17H2,1-2H3,(H,30,32);5-6,9-14H,2-4,7-8,15-16H2,1H3,(H,31,33)(H,28,32,38);5-6,9-14H,2-4,7-8,15-16H2,1H3,(H,30,32)(H,27,31,38)
• InChIKey: KWICEVIXFXVRGM-UHFFFAOYSA-N
• XLogP: 11.79
• TPSA: 410.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1678.95
LogP ≤ 5	11.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide?

The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide (CID 158105694) is N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide.

What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide?

The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide is Cc1cn2c(-c3cnn(CC(=O)N=c4ccn(O)cc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4[N+](=O)[O-])c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.

What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide?

The InChIKey is KWICEVIXFXVRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N10O2S.C26H27FN10OS.C26H27N11O3S/c1-18-4-3-7-34(13-18)16-22-10-25(40-33-22)32-26-27-28-12-23(37(27)14-19(2)30-26)20-11-29-35(15-20)17-24(38)31-21-5-8-36(39)9-6-21;1-17-13-37-22(18-10-30-36(14-18)16-23(38)32-21-5-6-28-11-20(21)27)12-29-26(37)25(31-17)33-24-9-19(34-39-24)15-35-7-3-2-4-8-35;1-17-13-36-21(18-10-29-35(14-18)16-23(38)31-20-5-6-27-11-22(20)37(39)40)12-28-26(36)25(30-17)32-24-9-19(33-41-24)15-34-7-3-2-4-8-34/h5-6,8-12,14-15,18,39H,3-4,7,13,16-17H2,1-2H3,(H,30,32);5-6,9-14H,2-4,7-8,15-16H2,1H3,(H,31,33)(H,28,32,38);5-6,9-14H,2-4,7-8,15-16H2,1H3,(H,30,32)(H,27,31,38).

What are the key properties of N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide?

N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide has a molecular weight of 1678.95 g/mol, XLogP of 11.79, 24 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(1-hydroxy-4-pyridinylidene)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-nitro-4-pyridinyl)acetamide is sourced from PubChem (CID 158105694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).