2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C31H34FN7O2S — CID 146267586

About 2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267586) has the molecular formula C31H34FN7O2S and a molecular weight of 587.73 g/mol. Its IUPAC name is 2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 146267586
• Molecular Formula: C31H34FN7O2S
• Molecular Weight: 587.73 g/mol
• Exact Mass: 587.25
• IUPAC Name: 2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nn2c(C)cc(N3CC4(CCN(C(=O)C(C)(C)O)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C31H34FN7O2S/c1-6-23-27(36(5)29-34-26(25(15-33)42-29)20-7-9-21(32)10-8-20)24-14-22(13-19(2)39(24)35-23)38-17-31(18-38)11-12-37(16-31)28(40)30(3,4)41/h7-10,13-14,41H,6,11-12,16-18H2,1-5H3
• InChIKey: BXSGGXOGQNIPAW-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 101.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.73
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267586) is 2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2c(C)cc(N3CC4(CCN(C(=O)C(C)(C)O)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is BXSGGXOGQNIPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN7O2S/c1-6-23-27(36(5)29-34-26(25(15-33)42-29)20-7-9-21(32)10-8-20)24-14-22(13-19(2)39(24)35-23)38-17-31(18-38)11-12-37(16-31)28(40)30(3,4)41/h7-10,13-14,41H,6,11-12,16-18H2,1-5H3.

What are the key properties of 2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 587.73 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-ethyl-5-[7-(2-hydroxy-2-methylpropanoyl)-2,7-diazaspiro[3.4]octan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).