2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid

C59H65F2N15O5S2 — CID 157296874

IUPAC2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid
SMILESCC(C)(O)C(=O)O.CCc1nn2cc(C)c(N3CC4(CN(C(=O)C(C)(C)O)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(C)c(N3CC4(CNC4)C3)nc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C30H32FN7O2S.C25H25FN8S.C4H8O3/c1-6-21-26(35(5)28-33-25(24(12-32)41-28)19-7-9-20(31)10-8-19)23-11-22(18(2)13-38(23)34-21)36-14-30(15-36)16-37(17-30)27(39)29(3,4)40;1-4-18-21(32(3)24-29-20(19(9-27)35-24)16-5-7-17(26)8-6-16)23-30-22(15(2)10-34(23)31-18)33-13-25(14-33)11-28-12-25;1-4(2,7)3(5)6/h7-11,13,40H,6,14-17H2,1-5H3;5-8,10,28H,4,11-14H2,1-3H3;7H,1-2H3,(H,5,6)
InChIKeyBBLGSRBSRIAADH-UHFFFAOYSA-N
MW1166.40 g/mol
LogP8.28
Rot. Bonds12

About 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid

2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid (PubChem CID 157296874) has the molecular formula C59H65F2N15O5S2 and a molecular weight of 1166.40 g/mol. Its IUPAC name is 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid
PubChem CID157296874
Molecular FormulaC59H65F2N15O5S2
Molecular Weight1166.40 g/mol
Exact Mass1165.47
IUPAC Name2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid
SMILESCC(C)(O)C(=O)O.CCc1nn2cc(C)c(N3CC4(CN(C(=O)C(C)(C)O)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(C)c(N3CC4(CNC4)C3)nc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C30H32FN7O2S.C25H25FN8S.C4H8O3/c1-6-21-26(35(5)28-33-25(24(12-32)41-28)19-7-9-20(31)10-8-19)23-11-22(18(2)13-38(23)34-21)36-14-30(15-36)16-37(17-30)27(39)29(3,4)40;1-4-18-21(32(3)24-29-20(19(9-27)35-24)16-5-7-17(26)8-6-16)23-30-22(15(2)10-34(23)31-18)33-13-25(14-33)11-28-12-25;1-4(2,7)3(5)6/h7-11,13,40H,6,14-17H2,1-5H3;5-8,10,28H,4,11-14H2,1-3H3;7H,1-2H3,(H,5,6)
InChIKeyBBLGSRBSRIAADH-UHFFFAOYSA-N
XLogP8.28
TPSA243.91 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001166.40
LogP ≤ 58.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid with MolForge

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Related Compounds

2-((2-Ethyl-5-(4-(2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl)piperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazole-5-carbonitrile
CID 153334985
2-[[2-Cyclopropyl-5-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267782
2-[[2-Ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267891
2-[[2-Ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267913
2-[[2-Ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267917
2-[[2-Ethyl-5-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267923
2-[[2-Ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 150517668
2-[[2-Ethyl-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 151424221
2-[[2-Ethyl-6-fluoro-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 155277885
2-[[2-Ethyl-6-fluoro-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
CID 157470109
2-[[2-Ethyl-5-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane
CID 157240713
2-[[5-(2,6-Diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxyacetyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;propanoic acid
CID 157532376

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid (CID 157296874) is 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid is CC(C)(O)C(=O)O.CCc1nn2cc(C)c(N3CC4(CN(C(=O)C(C)(C)O)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(C)c(N3CC4(CNC4)C3)nc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid?
The InChIKey is BBLGSRBSRIAADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O2S.C25H25FN8S.C4H8O3/c1-6-21-26(35(5)28-33-25(24(12-32)41-28)19-7-9-20(31)10-8-19)23-11-22(18(2)13-38(23)34-21)36-14-30(15-36)16-37(17-30)27(39)29(3,4)40;1-4-18-21(32(3)24-29-20(19(9-27)35-24)16-5-7-17(26)8-6-16)23-30-22(15(2)10-34(23)31-18)33-13-25(14-33)11-28-12-25;1-4(2,7)3(5)6/h7-11,13,40H,6,14-17H2,1-5H3;5-8,10,28H,4,11-14H2,1-3H3;7H,1-2H3,(H,5,6).
What are the key properties of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid?
2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid has a molecular weight of 1166.40 g/mol, XLogP of 8.28, 12 rotatable bonds, 4 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-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 157296874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).