2-[(5-bromo-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-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one

C60H65BrF2N14O2S2 — CID 161225621

About 2-[(5-bromo-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-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one

2-[(5-bromo-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-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 161225621) has the molecular formula C60H65BrF2N14O2S2 and a molecular weight of 1196.31 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;2-[[2-ethyl-7-methyl-5-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one.

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;2-[[2-ethyl-7-methyl-5-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one
• PubChem CID: 161225621
• Molecular Formula: C60H65BrF2N14O2S2
• Molecular Weight: 1196.31 g/mol
• Exact Mass: 1194.40
• IUPAC Name: 2-[(5-bromo-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-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one
• SMILES: CCc1nn2c(C)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCC4(CCN(C)C4=O)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CN1CCC2(CCNCC2)C1=O
• InChI: InChI=1S/C30H32FN7OS.C21H17BrFN5S.C9H16N2O/c1-5-23-27(36(4)29-33-26(25(18-32)40-29)20-6-8-21(31)9-7-20)24-17-22(16-19(2)38(24)34-23)37-14-11-30(12-15-37)10-13-35(3)28(30)39;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;1-11-7-4-9(8(11)12)2-5-10-6-3-9/h6-9,16-17H,5,10-15H2,1-4H3;5-10H,4H2,1-3H3;10H,2-7H2,1H3
• InChIKey: UYBRHGLISKHKCT-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 170.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1196.31
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

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;2-[[2-ethyl-7-methyl-5-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one?

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;2-[[2-ethyl-7-methyl-5-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 161225621) is 2-[(5-bromo-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-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one.

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;2-[[2-ethyl-7-methyl-5-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one?

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;2-[[2-ethyl-7-methyl-5-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one is CCc1nn2c(C)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCC4(CCN(C)C4=O)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CN1CCC2(CCNCC2)C1=O.

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;2-[[2-ethyl-7-methyl-5-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one?

The InChIKey is UYBRHGLISKHKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7OS.C21H17BrFN5S.C9H16N2O/c1-5-23-27(36(4)29-33-26(25(18-32)40-29)20-6-8-21(31)9-7-20)24-17-22(16-19(2)38(24)34-23)37-14-11-30(12-15-37)10-13-35(3)28(30)39;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;1-11-7-4-9(8(11)12)2-5-10-6-3-9/h6-9,16-17H,5,10-15H2,1-4H3;5-10H,4H2,1-3H3;10H,2-7H2,1H3.

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;2-[[2-ethyl-7-methyl-5-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one?

2-[(5-bromo-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-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 1196.31 g/mol, XLogP of 11.64, 9 rotatable bonds, 1 hydrogen bond donors, and 16 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;2-[[2-ethyl-7-methyl-5-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 161225621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).