N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride

C83H95Cl6F5N28O2S3 — CID 159175401

About N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride

N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride (PubChem CID 159175401) has the molecular formula C83H95Cl6F5N28O2S3 and a molecular weight of 1920.78 g/mol. Its IUPAC name is N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride.

Molecular Properties

• Compound Name: N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride
• PubChem CID: 159175401
• Molecular Formula: C83H95Cl6F5N28O2S3
• Molecular Weight: 1920.78 g/mol
• Exact Mass: 1916.54
• IUPAC Name: N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride
• SMILES: Cc1cn2c(-c3cnn(CCNC(=O)c4cccc(F)c4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.Cc1cn2c(-c3cnn(CCNC(=O)c4ccncc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.Cc1cn2c(-c3cnn(CCNc4cccc(F)c4F)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cl.Cl.Cl.Cl.Cl.Cl
• InChI: InChI=1S/C28H29F2N9OS.C28H31F2N9S.C27H29FN10OS.6ClH/c1-18-15-39-23(19-13-33-38(16-19)11-8-31-28(40)21-6-5-7-22(29)25(21)30)14-32-27(39)26(34-18)35-24-12-20(36-41-24)17-37-9-3-2-4-10-37;1-18-5-4-9-37(14-18)17-21-11-25(40-36-21)35-27-28-32-13-24(39(28)15-19(2)34-27)20-12-33-38(16-20)10-8-31-23-7-3-6-22(29)26(23)30;1-18-15-38-23(19-12-32-37(16-19)10-7-30-27(39)21-5-6-29-13-22(21)28)14-31-26(38)25(33-18)34-24-11-20(35-40-24)17-36-8-3-2-4-9-36;;;;;;/h5-7,12-16H,2-4,8-11,17H2,1H3,(H,31,40)(H,34,35);3,6-7,11-13,15-16,18,31H,4-5,8-10,14,17H2,1-2H3,(H,34,35);5-6,11-16H,2-4,7-10,17H2,1H3,(H,30,39)(H,33,34);6*1H
• InChIKey: HBGSBKWZWMDXPS-UHFFFAOYSA-N
• XLogP: 17.10
• TPSA: 311.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1920.78
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride?

The IUPAC name of N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride (CID 159175401) is N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride.

What is the SMILES notation for N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride?

The canonical SMILES for N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride is Cc1cn2c(-c3cnn(CCNC(=O)c4cccc(F)c4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.Cc1cn2c(-c3cnn(CCNC(=O)c4ccncc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.Cc1cn2c(-c3cnn(CCNc4cccc(F)c4F)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cl.Cl.Cl.Cl.Cl.Cl.

What is the InChIKey of N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride?

The InChIKey is HBGSBKWZWMDXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N9OS.C28H31F2N9S.C27H29FN10OS.6ClH/c1-18-15-39-23(19-13-33-38(16-19)11-8-31-28(40)21-6-5-7-22(29)25(21)30)14-32-27(39)26(34-18)35-24-12-20(36-41-24)17-37-9-3-2-4-10-37;1-18-5-4-9-37(14-18)17-21-11-25(40-36-21)35-27-28-32-13-24(39(28)15-19(2)34-27)20-12-33-38(16-20)10-8-31-23-7-3-6-22(29)26(23)30;1-18-15-38-23(19-12-32-37(16-19)10-7-30-27(39)21-5-6-29-13-22(21)28)14-31-26(38)25(33-18)34-24-11-20(35-40-24)17-36-8-3-2-4-9-36;;;;;;/h5-7,12-16H,2-4,8-11,17H2,1H3,(H,31,40)(H,34,35);3,6-7,11-13,15-16,18,31H,4-5,8-10,14,17H2,1-2H3,(H,34,35);5-6,11-16H,2-4,7-10,17H2,1H3,(H,30,39)(H,33,34);6*1H.

What are the key properties of N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride?

N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride has a molecular weight of 1920.78 g/mol, XLogP of 17.10, 27 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[2-(2,3-difluoroanilino)ethyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;2,3-difluoro-N-[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]ethyl]benzamide;3-fluoro-N-[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]ethyl]pyridine-4-carboxamide;hexahydrochloride is sourced from PubChem (CID 159175401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).