2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid

C119H127BrF4N26O7S4 — CID 159230793

About 2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid

2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid (PubChem CID 159230793) has the molecular formula C119H127BrF4N26O7S4 and a molecular weight of 2317.66 g/mol. Its IUPAC name is 2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid
• PubChem CID: 159230793
• Molecular Formula: C119H127BrF4N26O7S4
• Molecular Weight: 2317.66 g/mol
• Exact Mass: 2314.84
• IUPAC Name: 2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid
• SMILES: CCc1nn2c(C)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CCN(C(=O)C5CCOCC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CCN(C(=O)OC(C)(C)C)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CCNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.O=C(O)C1CCOCC1
• InChI: InChI=1S/C33H36FN7O2S.C32H36FN7O2S.C27H28FN7S.C21H17BrFN5S.C6H10O3/c1-4-26-30(38(3)32-36-29(28(17-35)44-32)22-5-7-24(34)8-6-22)27-16-25(15-21(2)41(27)37-26)40-19-33(20-40)11-12-39(18-33)31(42)23-9-13-43-14-10-23;1-7-24-28(37(6)29-35-27(26(16-34)43-29)21-8-10-22(33)11-9-21)25-15-23(14-20(2)40(25)36-24)39-18-32(19-39)12-13-38(17-32)30(41)42-31(3,4)5;1-4-21-25(33(3)26-31-24(23(13-29)36-26)18-5-7-19(28)8-6-18)22-12-20(11-17(2)35(22)32-21)34-15-27(16-34)9-10-30-14-27;1-4-16-20(17-10-14(22)9-12(2)28(17)26-16)27(3)21-25-19(18(11-24)29-21)13-5-7-15(23)8-6-13;7-6(8)5-1-3-9-4-2-5/h5-8,15-16,23H,4,9-14,18-20H2,1-3H3;8-11,14-15H,7,12-13,17-19H2,1-6H3;5-8,11-12,30H,4,9-10,14-16H2,1-3H3;5-10H,4H2,1-3H3;5H,1-4H2,(H,7,8)
• InChIKey: KSWFZUSLAGQPIF-UHFFFAOYSA-N
• XLogP: 23.40
• TPSA: 356.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2317.66
LogP ≤ 5	23.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid?

The IUPAC name of 2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid (CID 159230793) is 2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid.

What is the SMILES notation for 2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid?

The canonical SMILES for 2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid is CCc1nn2c(C)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CCN(C(=O)C5CCOCC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CCN(C(=O)OC(C)(C)C)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CCNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.O=C(O)C1CCOCC1.

What is the InChIKey of 2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid?

The InChIKey is KSWFZUSLAGQPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN7O2S.C32H36FN7O2S.C27H28FN7S.C21H17BrFN5S.C6H10O3/c1-4-26-30(38(3)32-36-29(28(17-35)44-32)22-5-7-24(34)8-6-22)27-16-25(15-21(2)41(27)37-26)40-19-33(20-40)11-12-39(18-33)31(42)23-9-13-43-14-10-23;1-7-24-28(37(6)29-35-27(26(16-34)43-29)21-8-10-22(33)11-9-21)25-15-23(14-20(2)40(25)36-24)39-18-32(19-39)12-13-38(17-32)30(41)42-31(3,4)5;1-4-21-25(33(3)26-31-24(23(13-29)36-26)18-5-7-19(28)8-6-18)22-12-20(11-17(2)35(22)32-21)34-15-27(16-34)9-10-30-14-27;1-4-16-20(17-10-14(22)9-12(2)28(17)26-16)27(3)21-25-19(18(11-24)29-21)13-5-7-15(23)8-6-13;7-6(8)5-1-3-9-4-2-5/h5-8,15-16,23H,4,9-14,18-20H2,1-3H3;8-11,14-15H,7,12-13,17-19H2,1-6H3;5-8,11-12,30H,4,9-10,14-16H2,1-3H3;5-10H,4H2,1-3H3;5H,1-4H2,(H,7,8).

What are the key properties of 2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid?

2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid has a molecular weight of 2317.66 g/mol, XLogP of 23.40, 21 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;2-[[5-(2,7-diazaspiro[3.4]octan-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-[7-(oxane-4-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;oxane-4-carboxylic acid is sourced from PubChem (CID 159230793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).