2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile

C191H209N47O10S6 — CID 157069135

IUPAC2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C)cc(N3CC4(C3)CN(c3cocn3)C4)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(C3)CN(c3ncco3)C4)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CC(C(=O)N5CC(O)C5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CCN(C(=O)N5CC(O)C5)CC4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCC4(CCN(C(=O)N5CC(O)C5)CC4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCC4(CN(C(=O)N5CC(O)C5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1
InChIInChI=1S/C34H40N8O2S.C33H38N8O2S.C32H36N8O2S.C32H35N7O2S.2C30H30N8OS/c1-5-27-31(38(4)32-36-30(29(18-35)45-32)24-8-6-22(2)7-9-24)28-17-25(16-23(3)42(28)37-27)40-15-12-34(21-40)10-13-39(14-11-34)33(44)41-19-26(43)20-41;1-5-26-30(37(4)31-35-29(28(16-34)44-31)23-8-6-21(2)7-9-23)27-15-24(14-22(3)41(27)36-26)40-19-33(20-40)10-12-38(13-11-33)32(43)39-17-25(42)18-39;1-5-25-29(36(4)30-34-28(27(14-33)43-30)22-8-6-20(2)7-9-22)26-13-23(12-21(3)40(26)35-25)37-11-10-32(17-37)18-39(19-32)31(42)38-15-24(41)16-38;1-5-25-29(36(4)31-34-28(27(14-33)42-31)21-8-6-19(2)7-9-21)26-11-23(10-20(3)39(26)35-25)38-17-32(18-38)12-22(13-32)30(41)37-15-24(40)16-37;1-5-23-28(35(4)29-33-27(25(12-31)40-29)21-8-6-19(2)7-9-21)24-11-22(10-20(3)38(24)34-23)36-14-30(15-36)16-37(17-30)26-13-39-18-32-26;1-5-23-27(35(4)29-33-26(25(14-31)40-29)21-8-6-19(2)7-9-21)24-13-22(12-20(3)38(24)34-23)36-15-30(16-36)17-37(18-30)28-32-10-11-39-28/h6-9,16-17,26,43H,5,10-15,19-21H2,1-4H3;6-9,14-15,25,42H,5,10-13,17-20H2,1-4H3;6-9,12-13,24,41H,5,10-11,15-19H2,1-4H3;6-11,22,24,40H,5,12-13,15-18H2,1-4H3;6-11,13,18H,5,14-17H2,1-4H3;6-13H,5,15-18H2,1-4H3
InChIKeyACFJKSNPBAWOMB-UHFFFAOYSA-N
MW3515.49 g/mol
LogP30.80
Rot. Bonds33

About 2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-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-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 157069135) has the molecular formula C191H209N47O10S6 and a molecular weight of 3515.49 g/mol. Its IUPAC name is 2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
PubChem CID157069135
Molecular FormulaC191H209N47O10S6
Molecular Weight3515.49 g/mol
Exact Mass3512.56
IUPAC Name2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C)cc(N3CC4(C3)CN(c3cocn3)C4)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(C3)CN(c3ncco3)C4)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CC(C(=O)N5CC(O)C5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CCN(C(=O)N5CC(O)C5)CC4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCC4(CCN(C(=O)N5CC(O)C5)CC4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCC4(CN(C(=O)N5CC(O)C5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1
InChIInChI=1S/C34H40N8O2S.C33H38N8O2S.C32H36N8O2S.C32H35N7O2S.2C30H30N8OS/c1-5-27-31(38(4)32-36-30(29(18-35)45-32)24-8-6-22(2)7-9-24)28-17-25(16-23(3)42(28)37-27)40-15-12-34(21-40)10-13-39(14-11-34)33(44)41-19-26(43)20-41;1-5-26-30(37(4)31-35-29(28(16-34)44-31)23-8-6-21(2)7-9-23)27-15-24(14-22(3)41(27)36-26)40-19-33(20-40)10-12-38(13-11-33)32(43)39-17-25(42)18-39;1-5-25-29(36(4)30-34-28(27(14-33)43-30)22-8-6-20(2)7-9-22)26-13-23(12-21(3)40(26)35-25)37-11-10-32(17-37)18-39(19-32)31(42)38-15-24(41)16-38;1-5-25-29(36(4)31-34-28(27(14-33)42-31)21-8-6-19(2)7-9-21)26-11-23(10-20(3)39(26)35-25)38-17-32(18-38)12-22(13-32)30(41)37-15-24(40)16-37;1-5-23-28(35(4)29-33-27(25(12-31)40-29)21-8-6-19(2)7-9-21)24-11-22(10-20(3)38(24)34-23)36-14-30(15-36)16-37(17-30)26-13-39-18-32-26;1-5-23-27(35(4)29-33-26(25(14-31)40-29)21-8-6-19(2)7-9-21)24-13-22(12-20(3)38(24)34-23)36-15-30(16-36)17-37(18-30)28-32-10-11-39-28/h6-9,16-17,26,43H,5,10-15,19-21H2,1-4H3;6-9,14-15,25,42H,5,10-13,17-20H2,1-4H3;6-9,12-13,24,41H,5,10-11,15-19H2,1-4H3;6-11,22,24,40H,5,12-13,15-18H2,1-4H3;6-11,13,18H,5,14-17H2,1-4H3;6-13H,5,15-18H2,1-4H3
InChIKeyACFJKSNPBAWOMB-UHFFFAOYSA-N
XLogP30.80
TPSA593.18 Ų
H-Bond Donors4
H-Bond Acceptors56
Rotatable Bonds33
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003515.49
LogP ≤ 530.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1056

Analyze 2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile (CID 157069135) is 2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2c(C)cc(N3CC4(C3)CN(c3cocn3)C4)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(C3)CN(c3ncco3)C4)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CC(C(=O)N5CC(O)C5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CCN(C(=O)N5CC(O)C5)CC4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCC4(CCN(C(=O)N5CC(O)C5)CC4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCC4(CN(C(=O)N5CC(O)C5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.
What is the InChIKey of 2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is ACFJKSNPBAWOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N8O2S.C33H38N8O2S.C32H36N8O2S.C32H35N7O2S.2C30H30N8OS/c1-5-27-31(38(4)32-36-30(29(18-35)45-32)24-8-6-22(2)7-9-24)28-17-25(16-23(3)42(28)37-27)40-15-12-34(21-40)10-13-39(14-11-34)33(44)41-19-26(43)20-41;1-5-26-30(37(4)31-35-29(28(16-34)44-31)23-8-6-21(2)7-9-23)27-15-24(14-22(3)41(27)36-26)40-19-33(20-40)10-12-38(13-11-33)32(43)39-17-25(42)18-39;1-5-25-29(36(4)30-34-28(27(14-33)43-30)22-8-6-20(2)7-9-22)26-13-23(12-21(3)40(26)35-25)37-11-10-32(17-37)18-39(19-32)31(42)38-15-24(41)16-38;1-5-25-29(36(4)31-34-28(27(14-33)42-31)21-8-6-19(2)7-9-21)26-11-23(10-20(3)39(26)35-25)38-17-32(18-38)12-22(13-32)30(41)37-15-24(40)16-37;1-5-23-28(35(4)29-33-27(25(12-31)40-29)21-8-6-19(2)7-9-21)24-11-22(10-20(3)38(24)34-23)36-14-30(15-36)16-37(17-30)26-13-39-18-32-26;1-5-23-27(35(4)29-33-26(25(14-31)40-29)21-8-6-19(2)7-9-21)24-13-22(12-20(3)38(24)34-23)36-15-30(16-36)17-37(18-30)28-32-10-11-39-28/h6-9,16-17,26,43H,5,10-15,19-21H2,1-4H3;6-9,14-15,25,42H,5,10-13,17-20H2,1-4H3;6-9,12-13,24,41H,5,10-11,15-19H2,1-4H3;6-11,22,24,40H,5,12-13,15-18H2,1-4H3;6-11,13,18H,5,14-17H2,1-4H3;6-13H,5,15-18H2,1-4H3.
What are the key properties of 2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-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-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 3515.49 g/mol, XLogP of 30.80, 33 rotatable bonds, 4 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(1,3-oxazol-2-yl)-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-methyl-5-[2-(1,3-oxazol-4-yl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 157069135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).