N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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

C83H91F2N29O4S3 — CID 157149301

About N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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

N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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 (PubChem CID 157149301) has the molecular formula C83H91F2N29O4S3 and a molecular weight of 1693.04 g/mol. Its IUPAC name is N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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.

Molecular Properties

• Compound Name: N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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
• PubChem CID: 157149301
• Molecular Formula: C83H91F2N29O4S3
• Molecular Weight: 1693.04 g/mol
• Exact Mass: 1691.69
• IUPAC Name: N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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
• SMILES: Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(CO)c4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)n4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4F)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
• InChI: InChI=1S/C29H33N9O2S.2C27H29FN10OS/c1-19-5-4-8-36(13-19)16-24-10-27(41-35-24)34-28-29-30-12-25(38(29)14-20(2)32-28)22-11-31-37(15-22)17-26(40)33-23-7-3-6-21(9-23)18-39;1-17-5-4-8-36(12-17)15-20-9-25(40-35-20)34-26-27-29-11-21(38(27)13-18(2)31-26)19-10-30-37(14-19)16-24(39)33-23-7-3-6-22(28)32-23;1-17-5-4-8-36(12-17)15-20-9-24(40-35-20)34-26-27-30-11-22(38(27)13-18(2)32-26)19-10-31-37(14-19)16-23(39)33-21-6-3-7-29-25(21)28/h3,6-7,9-12,14-15,19,39H,4-5,8,13,16-18H2,1-2H3,(H,32,34)(H,33,40);3,6-7,9-11,13-14,17H,4-5,8,12,15-16H2,1-2H3,(H,31,34)(H,32,33,39);3,6-7,9-11,13-14,17H,4-5,8,12,15-16H2,1-2H3,(H,32,34)(H,33,39)
• InChIKey: ALBMREVJEABAEW-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 361.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1693.04
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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?

The IUPAC name of N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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 (CID 157149301) is N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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.

What is the SMILES notation for N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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?

The canonical SMILES for N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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 is Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(CO)c4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)n4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4F)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.

What is the InChIKey of N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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?

The InChIKey is ALBMREVJEABAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N9O2S.2C27H29FN10OS/c1-19-5-4-8-36(13-19)16-24-10-27(41-35-24)34-28-29-30-12-25(38(29)14-20(2)32-28)22-11-31-37(15-22)17-26(40)33-23-7-3-6-21(9-23)18-39;1-17-5-4-8-36(12-17)15-20-9-25(40-35-20)34-26-27-29-11-21(38(27)13-18(2)31-26)19-10-30-37(14-19)16-24(39)33-23-7-3-6-22(28)32-23;1-17-5-4-8-36(12-17)15-20-9-24(40-35-20)34-26-27-30-11-22(38(27)13-18(2)32-26)19-10-31-37(14-19)16-23(39)33-21-6-3-7-29-25(21)28/h3,6-7,9-12,14-15,19,39H,4-5,8,13,16-18H2,1-2H3,(H,32,34)(H,33,40);3,6-7,9-11,13-14,17H,4-5,8,12,15-16H2,1-2H3,(H,31,34)(H,32,33,39);3,6-7,9-11,13-14,17H,4-5,8,12,15-16H2,1-2H3,(H,32,34)(H,33,39).

What are the key properties of N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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?

N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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 has a molecular weight of 1693.04 g/mol, XLogP of 13.48, 25 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-3-pyridinyl)-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;N-(6-fluoro-2-pyridinyl)-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;N-[3-(hydroxymethyl)phenyl]-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 is sourced from PubChem (CID 157149301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).