3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C83H100F4N32OS4 — CID 123877417

About 3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 123877417) has the molecular formula C83H100F4N32OS4 and a molecular weight of 1766.20 g/mol. Its IUPAC name is 3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

• Compound Name: 3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
• PubChem CID: 123877417
• Molecular Formula: C83H100F4N32OS4
• Molecular Weight: 1766.20 g/mol
• Exact Mass: 1764.76
• IUPAC Name: 3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
• SMILES: CCC(C)(C)N(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)CC(F)(F)F.COC[C@@]1(C)CCCN(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)C1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(C)(F)CC3)ns2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(C)CC3)ns2)n1
• InChI: InChI=1S/C22H28N8OS.C21H25F3N8S.C20H23FN8S.C20H24N8S/c1-15-11-30-18(16-8-24-25-9-16)10-23-21(30)20(26-15)27-19-7-17(28-32-19)12-29-6-4-5-22(2,13-29)14-31-3;1-5-20(3,4)31(12-21(22,23)24)11-15-6-17(33-30-15)29-18-19-25-9-16(14-7-26-27-8-14)32(19)10-13(2)28-18;1-13-11-29-16(14-8-23-24-9-14)10-22-19(29)18(25-13)26-17-7-15(27-30-17)12-28-5-3-20(2,21)4-6-28;1-13-3-5-27(6-4-13)12-16-7-18(29-26-16)25-19-20-21-10-17(15-8-22-23-9-15)28(20)11-14(2)24-19/h7-11H,4-6,12-14H2,1-3H3,(H,24,25)(H,26,27);6-10H,5,11-12H2,1-4H3,(H,26,27)(H,28,29);7-11H,3-6,12H2,1-2H3,(H,23,24)(H,25,26);7-11,13H,3-6,12H2,1-2H3,(H,22,23)(H,24,25)/t22-;;;/m0.../s1
• InChIKey: ORJQAYUAIOPCAN-NNUMAELLSA-N
• XLogP: 16.87
• TPSA: 357.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1766.20
LogP ≤ 5	16.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The IUPAC name of 3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 123877417) is 3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

What is the SMILES notation for 3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The canonical SMILES for 3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is CCC(C)(C)N(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)CC(F)(F)F.COC[C@@]1(C)CCCN(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)C1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(C)(F)CC3)ns2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(C)CC3)ns2)n1.

What is the InChIKey of 3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The InChIKey is ORJQAYUAIOPCAN-NNUMAELLSA-N. The full InChI is InChI=1S/C22H28N8OS.C21H25F3N8S.C20H23FN8S.C20H24N8S/c1-15-11-30-18(16-8-24-25-9-16)10-23-21(30)20(26-15)27-19-7-17(28-32-19)12-29-6-4-5-22(2,13-29)14-31-3;1-5-20(3,4)31(12-21(22,23)24)11-15-6-17(33-30-15)29-18-19-25-9-16(14-7-26-27-8-14)32(19)10-13(2)28-18;1-13-11-29-16(14-8-23-24-9-14)10-22-19(29)18(25-13)26-17-7-15(27-30-17)12-28-5-3-20(2,21)4-6-28;1-13-3-5-27(6-4-13)12-16-7-18(29-26-16)25-19-20-21-10-17(15-8-22-23-9-15)28(20)11-14(2)24-19/h7-11H,4-6,12-14H2,1-3H3,(H,24,25)(H,26,27);6-10H,5,11-12H2,1-4H3,(H,26,27)(H,28,29);7-11H,3-6,12H2,1-2H3,(H,23,24)(H,25,26);7-11,13H,3-6,12H2,1-2H3,(H,22,23)(H,24,25)/t22-;;;/m0.../s1.

What are the key properties of 3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 1766.20 g/mol, XLogP of 16.87, 25 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3S)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methylbutan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 123877417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).