2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile

C186H200F9N45O13S6 — CID 158159132

IUPAC2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C(F)(F)F)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C(F)F)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(CF)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CC4(CN(C(=O)C(C)(C)O)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CC4(CN(C(=O)C5CCOCC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CC4(CN(C(=O)[C@@]5(O)CCOC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1
InChIInChI=1S/C32H34FN7O2S.C31H33F3N8O2S.C31H34F2N8O2S.C31H35FN8O2S.C31H32FN7O3S.C30H32FN7O2S/c1-4-24-29(37(3)31-35-28(27(14-34)43-31)21-7-5-20(2)6-8-21)26-13-25(23(33)15-40(26)36-24)38-16-32(17-38)18-39(19-32)30(41)22-9-11-42-12-10-22;1-4-23-29(38(3)30-36-28(25(15-35)45-30)20-7-5-19(2)6-8-20)24-13-21(14-26(31(32,33)34)42(24)37-23)40-11-9-39(10-12-40)18-27(44)41-16-22(43)17-41;1-4-23-29(37(3)31-35-28(26(15-34)44-31)20-7-5-19(2)6-8-20)24-13-21(14-25(30(32)33)41(24)36-23)39-11-9-38(10-12-39)18-27(43)40-16-22(42)17-40;1-4-25-30(36(3)31-34-29(27(16-33)43-31)21-7-5-20(2)6-8-21)26-14-22(13-23(15-32)40(26)35-25)38-11-9-37(10-12-38)19-28(42)39-17-24(41)18-39;1-4-22-27(36(3)29-34-26(25(12-33)43-29)20-7-5-19(2)6-8-20)24-11-23(21(32)13-39(24)35-22)37-14-30(15-37)16-38(17-30)28(40)31(41)9-10-42-18-31;1-6-21-26(35(5)28-33-25(24(12-32)41-28)19-9-7-18(2)8-10-19)23-11-22(20(31)13-38(23)34-21)36-14-30(15-36)16-37(17-30)27(39)29(3,4)40/h5-8,13,15,22H,4,9-12,16-19H2,1-3H3;5-8,13-14,22,43H,4,9-12,16-18H2,1-3H3;5-8,13-14,22,30,42H,4,9-12,16-18H2,1-3H3;5-8,13-14,24,41H,4,9-12,15,17-19H2,1-3H3;5-8,11,13,41H,4,9-10,14-18H2,1-3H3;7-11,13,40H,6,14-17H2,1-5H3/t;;;;31-;/m....1./s1
InChIKeyFWBASUGSJKECAV-AGLXFCCPSA-N
MW3637.33 g/mol
LogP25.92
Rot. Bonds41

About 2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile

2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 158159132) has the molecular formula C186H200F9N45O13S6 and a molecular weight of 3637.33 g/mol. Its IUPAC name is 2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
PubChem CID158159132
Molecular FormulaC186H200F9N45O13S6
Molecular Weight3637.33 g/mol
Exact Mass3634.46
IUPAC Name2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C(F)(F)F)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C(F)F)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(CF)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CC4(CN(C(=O)C(C)(C)O)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CC4(CN(C(=O)C5CCOCC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CC4(CN(C(=O)[C@@]5(O)CCOC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1
InChIInChI=1S/C32H34FN7O2S.C31H33F3N8O2S.C31H34F2N8O2S.C31H35FN8O2S.C31H32FN7O3S.C30H32FN7O2S/c1-4-24-29(37(3)31-35-28(27(14-34)43-31)21-7-5-20(2)6-8-21)26-13-25(23(33)15-40(26)36-24)38-16-32(17-38)18-39(19-32)30(41)22-9-11-42-12-10-22;1-4-23-29(38(3)30-36-28(25(15-35)45-30)20-7-5-19(2)6-8-20)24-13-21(14-26(31(32,33)34)42(24)37-23)40-11-9-39(10-12-40)18-27(44)41-16-22(43)17-41;1-4-23-29(37(3)31-35-28(26(15-34)44-31)20-7-5-19(2)6-8-20)24-13-21(14-25(30(32)33)41(24)36-23)39-11-9-38(10-12-39)18-27(43)40-16-22(42)17-40;1-4-25-30(36(3)31-34-29(27(16-33)43-31)21-7-5-20(2)6-8-21)26-14-22(13-23(15-32)40(26)35-25)38-11-9-37(10-12-38)19-28(42)39-17-24(41)18-39;1-4-22-27(36(3)29-34-26(25(12-33)43-29)20-7-5-19(2)6-8-20)24-11-23(21(32)13-39(24)35-22)37-14-30(15-37)16-38(17-30)28(40)31(41)9-10-42-18-31;1-6-21-26(35(5)28-33-25(24(12-32)41-28)19-9-7-18(2)8-10-19)23-11-22(20(31)13-38(23)34-21)36-14-30(15-36)16-37(17-30)27(39)29(3,4)40/h5-8,13,15,22H,4,9-12,16-19H2,1-3H3;5-8,13-14,22,43H,4,9-12,16-18H2,1-3H3;5-8,13-14,22,30,42H,4,9-12,16-18H2,1-3H3;5-8,13-14,24,41H,4,9-12,15,17-19H2,1-3H3;5-8,11,13,41H,4,9-10,14-18H2,1-3H3;7-11,13,40H,6,14-17H2,1-5H3/t;;;;31-;/m....1./s1
InChIKeyFWBASUGSJKECAV-AGLXFCCPSA-N
XLogP25.92
TPSA613.95 Ų
H-Bond Donors5
H-Bond Acceptors58
Rotatable Bonds41
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003637.33
LogP ≤ 525.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1058

Analyze 2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile (CID 158159132) is 2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2c(C(F)(F)F)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C(F)F)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(CF)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CC4(CN(C(=O)C(C)(C)O)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CC4(CN(C(=O)C5CCOCC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CC4(CN(C(=O)[C@@]5(O)CCOC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.
What is the InChIKey of 2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is FWBASUGSJKECAV-AGLXFCCPSA-N. The full InChI is InChI=1S/C32H34FN7O2S.C31H33F3N8O2S.C31H34F2N8O2S.C31H35FN8O2S.C31H32FN7O3S.C30H32FN7O2S/c1-4-24-29(37(3)31-35-28(27(14-34)43-31)21-7-5-20(2)6-8-21)26-13-25(23(33)15-40(26)36-24)38-16-32(17-38)18-39(19-32)30(41)22-9-11-42-12-10-22;1-4-23-29(38(3)30-36-28(25(15-35)45-30)20-7-5-19(2)6-8-20)24-13-21(14-26(31(32,33)34)42(24)37-23)40-11-9-39(10-12-40)18-27(44)41-16-22(43)17-41;1-4-23-29(37(3)31-35-28(26(15-34)44-31)20-7-5-19(2)6-8-20)24-13-21(14-25(30(32)33)41(24)36-23)39-11-9-38(10-12-39)18-27(43)40-16-22(42)17-40;1-4-25-30(36(3)31-34-29(27(16-33)43-31)21-7-5-20(2)6-8-21)26-14-22(13-23(15-32)40(26)35-25)38-11-9-37(10-12-38)19-28(42)39-17-24(41)18-39;1-4-22-27(36(3)29-34-26(25(12-33)43-29)20-7-5-19(2)6-8-20)24-11-23(21(32)13-39(24)35-22)37-14-30(15-37)16-38(17-30)28(40)31(41)9-10-42-18-31;1-6-21-26(35(5)28-33-25(24(12-32)41-28)19-9-7-18(2)8-10-19)23-11-22(20(31)13-38(23)34-21)36-14-30(15-36)16-37(17-30)27(39)29(3,4)40/h5-8,13,15,22H,4,9-12,16-19H2,1-3H3;5-8,13-14,22,43H,4,9-12,16-18H2,1-3H3;5-8,13-14,22,30,42H,4,9-12,16-18H2,1-3H3;5-8,13-14,24,41H,4,9-12,15,17-19H2,1-3H3;5-8,11,13,41H,4,9-10,14-18H2,1-3H3;7-11,13,40H,6,14-17H2,1-5H3/t;;;;31-;/m....1./s1.
What are the key properties of 2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 3637.33 g/mol, XLogP of 25.92, 41 rotatable bonds, 5 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(difluoromethyl)-2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;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-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-(fluoromethyl)-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-fluoro-5-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 158159132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).