3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine

C76H87F3N32OS4 — CID 123527809

About 3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine

3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine (PubChem CID 123527809) has the molecular formula C76H87F3N32OS4 and a molecular weight of 1650.02 g/mol. Its IUPAC name is 3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine.

Molecular Properties

• Compound Name: 3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine
• PubChem CID: 123527809
• Molecular Formula: C76H87F3N32OS4
• Molecular Weight: 1650.02 g/mol
• Exact Mass: 1648.66
• IUPAC Name: 3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine
• SMILES: CCOCCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)CC(F)F.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC(C)(F)C3)ns2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC[C@@H](C)C3)ns2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC[C@H](C)C3)ns2)n1
• InChI: InChI=1S/C20H24F2N8OS.2C19H22N8S.C18H19FN8S/c1-3-31-5-4-29(12-17(21)22)11-15-6-18(32-28-15)27-19-20-23-9-16(14-7-24-25-8-14)30(20)10-13(2)26-19;2*1-12-3-4-26(9-12)11-15-5-17(28-25-15)24-18-19-20-8-16(14-6-21-22-7-14)27(19)10-13(2)23-18;1-11-7-27-14(12-4-21-22-5-12)6-20-17(27)16(23-11)24-15-3-13(25-28-15)8-26-9-18(2,19)10-26/h6-10,17H,3-5,11-12H2,1-2H3,(H,24,25)(H,26,27);2*5-8,10,12H,3-4,9,11H2,1-2H3,(H,21,22)(H,23,24);3-7H,8-10H2,1-2H3,(H,21,22)(H,23,24)/t;2*12-;/m.10./s1
• InChIKey: BXCPDHUFHFWCPJ-VRTQBMLPSA-N
• XLogP: 13.84
• TPSA: 357.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1650.02
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine?

The IUPAC name of 3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine (CID 123527809) is 3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine.

What is the SMILES notation for 3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine?

The canonical SMILES for 3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine is CCOCCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)CC(F)F.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC(C)(F)C3)ns2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC[C@@H](C)C3)ns2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC[C@H](C)C3)ns2)n1.

What is the InChIKey of 3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine?

The InChIKey is BXCPDHUFHFWCPJ-VRTQBMLPSA-N. The full InChI is InChI=1S/C20H24F2N8OS.2C19H22N8S.C18H19FN8S/c1-3-31-5-4-29(12-17(21)22)11-15-6-18(32-28-15)27-19-20-23-9-16(14-7-24-25-8-14)30(20)10-13(2)26-19;2*1-12-3-4-26(9-12)11-15-5-17(28-25-15)24-18-19-20-8-16(14-6-21-22-7-14)27(19)10-13(2)23-18;1-11-7-27-14(12-4-21-22-5-12)6-20-17(27)16(23-11)24-15-3-13(25-28-15)8-26-9-18(2,19)10-26/h6-10,17H,3-5,11-12H2,1-2H3,(H,24,25)(H,26,27);2*5-8,10,12H,3-4,9,11H2,1-2H3,(H,21,22)(H,23,24);3-7H,8-10H2,1-2H3,(H,21,22)(H,23,24)/t;2*12-;/m.10./s1.

What are the key properties of 3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine?

3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine has a molecular weight of 1650.02 g/mol, XLogP of 13.84, 26 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2,2-difluoroethyl(2-ethoxyethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2-thiazol-5-amine is sourced from PubChem (CID 123527809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).