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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

C62H70F2N14O5S2 — CID 160746040

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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 160746040) has the molecular formula C62H70F2N14O5S2 and a molecular weight of 1193.46 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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.

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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
• PubChem CID: 160746040
• Molecular Formula: C62H70F2N14O5S2
• Molecular Weight: 1193.46 g/mol
• Exact Mass: 1192.51
• 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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
• SMILES: C.CCc1nn2c(C)cc(N3CC4(CN(C(=O)OC5CCOC5)C4)C3)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.OC1CCOC1
• InChI: InChI=1S/C31H32FN7O3S.C26H26FN7S.C4H8O2.CH4/c1-4-24-28(36(3)29-34-27(26(13-33)43-29)20-5-7-21(32)8-6-20)25-12-22(11-19(2)39(25)35-24)37-15-31(16-37)17-38(18-31)30(40)42-23-9-10-41-14-23;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;5-4-1-2-6-3-4;/h5-8,11-12,23H,4,9-10,14-18H2,1-3H3;5-10,29H,4,12-15H2,1-3H3;4-5H,1-3H2;1H4
• InChIKey: RWEWVOYJKXABOP-UHFFFAOYSA-N
• XLogP: 10.08
• TPSA: 201.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1193.46
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?

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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 160746040) 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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.

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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?

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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is C.CCc1nn2c(C)cc(N3CC4(CN(C(=O)OC5CCOC5)C4)C3)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.OC1CCOC1.

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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?

The InChIKey is RWEWVOYJKXABOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O3S.C26H26FN7S.C4H8O2.CH4/c1-4-24-28(36(3)29-34-27(26(13-33)43-29)20-5-7-21(32)8-6-20)25-12-22(11-19(2)39(25)35-24)37-15-31(16-37)17-38(18-31)30(40)42-23-9-10-41-14-23;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;5-4-1-2-6-3-4;/h5-8,11-12,23H,4,9-10,14-18H2,1-3H3;5-10,29H,4,12-15H2,1-3H3;4-5H,1-3H2;1H4.

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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?

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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 1193.46 g/mol, XLogP of 10.08, 11 rotatable bonds, 2 hydrogen bond donors, and 20 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;methane;oxolan-3-ol;oxolan-3-yl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 160746040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).