2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride

C54H57ClF2N14O4S4 — CID 158263095

About 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride

2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride (PubChem CID 158263095) has the molecular formula C54H57ClF2N14O4S4 and a molecular weight of 1167.86 g/mol. Its IUPAC name is 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride.

Molecular Properties

• Compound Name: 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride
• PubChem CID: 158263095
• Molecular Formula: C54H57ClF2N14O4S4
• Molecular Weight: 1167.86 g/mol
• Exact Mass: 1166.32
• IUPAC Name: 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride
• SMILES: CCc1nn2c(C)cc(N3CC4(C3)CN(S(C)(=O)=O)C4)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CS(=O)(=O)Cl
• InChI: InChI=1S/C27H28FN7O2S2.C26H26FN7S.CH3ClO2S/c1-5-21-25(32(3)26-30-24(23(12-29)38-26)18-6-8-19(28)9-7-18)22-11-20(10-17(2)35(22)31-21)33-13-27(14-33)15-34(16-27)39(4,36)37;1-4-20-24(32(3)25-30-23(22(11-28)35-25)17-5-7-18(27)8-6-17)21-10-19(9-16(2)34(21)31-20)33-14-26(15-33)12-29-13-26;1-5(2,3)4/h6-11H,5,13-16H2,1-4H3;5-10,29H,4,12-15H2,1-3H3;1H3
• InChIKey: GICPQASITLGZIK-UHFFFAOYSA-N
• XLogP: 8.89
• TPSA: 204.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1167.86
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride?

The IUPAC name of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride (CID 158263095) is 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride.

What is the SMILES notation for 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride?

The canonical SMILES for 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride is CCc1nn2c(C)cc(N3CC4(C3)CN(S(C)(=O)=O)C4)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CS(=O)(=O)Cl.

What is the InChIKey of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride?

The InChIKey is GICPQASITLGZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7O2S2.C26H26FN7S.CH3ClO2S/c1-5-21-25(32(3)26-30-24(23(12-29)38-26)18-6-8-19(28)9-7-18)22-11-20(10-17(2)35(22)31-21)33-13-27(14-33)15-34(16-27)39(4,36)37;1-4-20-24(32(3)25-30-23(22(11-28)35-25)17-5-7-18(27)8-6-17)21-10-19(9-16(2)34(21)31-20)33-14-26(15-33)12-29-13-26;1-5(2,3)4/h6-11H,5,13-16H2,1-4H3;5-10,29H,4,12-15H2,1-3H3;1H3.

What are the key properties of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride?

2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride has a molecular weight of 1167.86 g/mol, XLogP of 8.89, 11 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methanesulfonyl chloride is sourced from PubChem (CID 158263095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).