1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one

C116H124N26O5S4 — CID 158009340

About 1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one

1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one (PubChem CID 158009340) has the molecular formula C116H124N26O5S4 and a molecular weight of 2090.71 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one
• PubChem CID: 158009340
• Molecular Formula: C116H124N26O5S4
• Molecular Weight: 2090.71 g/mol
• Exact Mass: 2088.91
• IUPAC Name: 1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one
• SMILES: Cc1cc(-c2ncnc3[nH]c(-c4cnn(C)c4)cc23)ccc1C(CO)CC(=O)c1cnc(C(C)(C)C)s1.Cc1cc(-c2ncnc3[nH]c(-c4cnn5c4CN(C)CC5)cc23)ccc1CCC(=O)c1cnc(C(C)(C)C)s1.Cc1cc(-c2ncnc3[nH]c(-c4cnn5c4CNCC5)cc23)ccc1CCC(=O)c1cnc(C(C)(C)C)s1.Cn1cc(-c2cc3c(-c4ccc5c(c4)CCCC5CC(=O)c4cnc(C(C)(C)C)s4)ncnc3[nH]2)cn1
• InChI: InChI=1S/C30H33N7OS.C29H31N7OS.C29H30N6OS.C28H30N6O2S/c1-18-12-20(7-6-19(18)8-9-25(38)26-15-31-29(39-26)30(2,3)4)27-21-13-23(35-28(21)33-17-32-27)22-14-34-37-11-10-36(5)16-24(22)37;1-17-11-19(6-5-18(17)7-8-24(37)25-15-31-28(38-25)29(2,3)4)26-20-12-22(35-27(20)33-16-32-26)21-13-34-36-10-9-30-14-23(21)36;1-29(2,3)28-30-14-25(37-28)24(36)11-18-7-5-6-17-10-19(8-9-21(17)18)26-22-12-23(20-13-33-35(4)15-20)34-27(22)32-16-31-26;1-16-8-17(25-21-10-22(19-11-32-34(5)13-19)33-26(21)31-15-30-25)6-7-20(16)18(14-35)9-23(36)24-12-29-27(37-24)28(2,3)4/h6-7,12-15,17H,8-11,16H2,1-5H3,(H,32,33,35);5-6,11-13,15-16,30H,7-10,14H2,1-4H3,(H,32,33,35);8-10,12-16,18H,5-7,11H2,1-4H3,(H,31,32,34);6-8,10-13,15,18,35H,9,14H2,1-5H3,(H,30,31,33)
• InChIKey: FEROHEYIGNETTK-UHFFFAOYSA-N
• XLogP: 23.19
• TPSA: 392.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2090.71
LogP ≤ 5	23.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one?

The IUPAC name of 1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one (CID 158009340) is 1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one.

What is the SMILES notation for 1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one?

The canonical SMILES for 1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one is Cc1cc(-c2ncnc3[nH]c(-c4cnn(C)c4)cc23)ccc1C(CO)CC(=O)c1cnc(C(C)(C)C)s1.Cc1cc(-c2ncnc3[nH]c(-c4cnn5c4CN(C)CC5)cc23)ccc1CCC(=O)c1cnc(C(C)(C)C)s1.Cc1cc(-c2ncnc3[nH]c(-c4cnn5c4CNCC5)cc23)ccc1CCC(=O)c1cnc(C(C)(C)C)s1.Cn1cc(-c2cc3c(-c4ccc5c(c4)CCCC5CC(=O)c4cnc(C(C)(C)C)s4)ncnc3[nH]2)cn1.

What is the InChIKey of 1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one?

The InChIKey is FEROHEYIGNETTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7OS.C29H31N7OS.C29H30N6OS.C28H30N6O2S/c1-18-12-20(7-6-19(18)8-9-25(38)26-15-31-29(39-26)30(2,3)4)27-21-13-23(35-28(21)33-17-32-27)22-14-34-37-11-10-36(5)16-24(22)37;1-17-11-19(6-5-18(17)7-8-24(37)25-15-31-28(38-25)29(2,3)4)26-20-12-22(35-27(20)33-16-32-26)21-13-34-36-10-9-30-14-23(21)36;1-29(2,3)28-30-14-25(37-28)24(36)11-18-7-5-6-17-10-19(8-9-21(17)18)26-22-12-23(20-13-33-35(4)15-20)34-27(22)32-16-31-26;1-16-8-17(25-21-10-22(19-11-32-34(5)13-19)33-26(21)31-15-30-25)6-7-20(16)18(14-35)9-23(36)24-12-29-27(37-24)28(2,3)4/h6-7,12-15,17H,8-11,16H2,1-5H3,(H,32,33,35);5-6,11-13,15-16,30H,7-10,14H2,1-4H3,(H,32,33,35);8-10,12-16,18H,5-7,11H2,1-4H3,(H,31,32,34);6-8,10-13,15,18,35H,9,14H2,1-5H3,(H,30,31,33).

What are the key properties of 1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one?

1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one has a molecular weight of 2090.71 g/mol, XLogP of 23.19, 24 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-tert-butyl-1,3-thiazol-5-yl)-4-hydroxy-3-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]butan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one;1-(2-tert-butyl-1,3-thiazol-5-yl)-2-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]propan-1-one is sourced from PubChem (CID 158009340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).