N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile

C72H83F2N23S3 — CID 157227904

About N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile

N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 157227904) has the molecular formula C72H83F2N23S3 and a molecular weight of 1404.81 g/mol. Its IUPAC name is N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

• Compound Name: N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile
• PubChem CID: 157227904
• Molecular Formula: C72H83F2N23S3
• Molecular Weight: 1404.81 g/mol
• Exact Mass: 1403.63
• IUPAC Name: N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile
• SMILES: Cc1cn2cc(-c3ncc4nc(N(C)C5CC(C)(C)NC(C)(C)[C@H]5F)sc4n3)cc(C#N)c2n1.Cc1cn2cc(-c3ncc4nc(N(C)C5CC6(C)CCC(C)(C5)N6)sc4n3)cc2c(C)n1.Cc1cn2cc(-c3ncc4nc(N(C)[C@@H]5CC(C)(C)NC(C)(C)[C@@H]5F)sc4n3)cc(C#N)c2n1
• InChI: InChI=1S/2C24H27FN8S.C24H29N7S/c2*1-13-11-33-12-15(7-14(9-26)20(33)28-13)19-27-10-16-21(30-19)34-22(29-16)32(6)17-8-23(2,3)31-24(4,5)18(17)25;1-14-12-31-13-16(8-19(31)15(2)26-14)20-25-11-18-21(28-20)32-22(27-18)30(5)17-9-23(3)6-7-24(4,10-17)29-23/h2*7,10-12,17-18,31H,8H2,1-6H3;8,11-13,17,29H,6-7,9-10H2,1-5H3/t17?,18-;17-,18-;/m01./s1
• InChIKey: ATTIXUVMDKRQOY-XCNMFJTQSA-N
• XLogP: 13.07
• TPSA: 261.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 9
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1404.81
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile?

The IUPAC name of N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile (CID 157227904) is N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile.

What is the SMILES notation for N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile?

The canonical SMILES for N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile is Cc1cn2cc(-c3ncc4nc(N(C)C5CC(C)(C)NC(C)(C)[C@H]5F)sc4n3)cc(C#N)c2n1.Cc1cn2cc(-c3ncc4nc(N(C)C5CC6(C)CCC(C)(C5)N6)sc4n3)cc2c(C)n1.Cc1cn2cc(-c3ncc4nc(N(C)[C@@H]5CC(C)(C)NC(C)(C)[C@@H]5F)sc4n3)cc(C#N)c2n1.

What is the InChIKey of N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile?

The InChIKey is ATTIXUVMDKRQOY-XCNMFJTQSA-N. The full InChI is InChI=1S/2C24H27FN8S.C24H29N7S/c2*1-13-11-33-12-15(7-14(9-26)20(33)28-13)19-27-10-16-21(30-19)34-22(29-16)32(6)17-8-23(2,3)31-24(4,5)18(17)25;1-14-12-31-13-16(8-19(31)15(2)26-14)20-25-11-18-21(28-20)32-22(27-18)30(5)17-9-23(3)6-7-24(4,10-17)29-23/h2*7,10-12,17-18,31H,8H2,1-6H3;8,11-13,17,29H,6-7,9-10H2,1-5H3/t17?,18-;17-,18-;/m01./s1.

What are the key properties of N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile?

N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 1404.81 g/mol, XLogP of 13.07, 9 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-[2-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-[2-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 157227904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).