2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C110H108BrF4N25O6S4 — CID 157219987

About 2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 157219987) has the molecular formula C110H108BrF4N25O6S4 and a molecular weight of 2160.41 g/mol. Its IUPAC name is 2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 157219987
• Molecular Formula: C110H108BrF4N25O6S4
• Molecular Weight: 2160.41 g/mol
• Exact Mass: 2157.69
• IUPAC Name: 2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: C1CC2(C1)CNC2.CCc1nn2ccc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2ccc(N3CC4(CC(C(=O)[C@@H]5CCOC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2ccc(N3CC4(CCC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2ccc(N3CC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.OOC#COO
• InChI: InChI=1S/C31H31FN6O2S.C26H25FN6S.C25H24FN7S.C20H15BrFN5S.C6H11N.C2H2O4/c1-3-24-28(36(2)30-34-27(26(15-33)41-30)19-4-6-22(32)7-5-19)25-12-23(8-10-38(25)35-24)37-17-31(18-37)13-21(14-31)29(39)20-9-11-40-16-20;1-3-20-24(21-13-19(9-12-33(21)30-20)32-15-26(16-32)10-4-11-26)31(2)25-29-23(22(14-28)34-25)17-5-7-18(27)8-6-17;1-3-19-23(20-10-18(8-9-33(20)30-19)32-14-25(15-32)12-28-13-25)31(2)24-29-22(21(11-27)34-24)16-4-6-17(26)7-5-16;1-3-15-19(16-10-13(21)8-9-27(16)25-15)26(2)20-24-18(17(11-23)28-20)12-4-6-14(22)7-5-12;1-2-6(3-1)4-7-5-6;3-5-1-2-6-4/h4-8,10,12,20-21H,3,9,11,13-14,16-18H2,1-2H3;5-9,12-13H,3-4,10-11,15-16H2,1-2H3;4-10,28H,3,12-15H2,1-2H3;4-10H,3H2,1-2H3;7H,1-5H2;3-4H/t20-;;;;;/m1...../s1
• InChIKey: ASWFUBIEZMQEGE-LHLYQOSOSA-N
• XLogP: 21.82
• TPSA: 347.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2160.41
LogP ≤ 5	21.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 157219987) is 2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is C1CC2(C1)CNC2.CCc1nn2ccc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2ccc(N3CC4(CC(C(=O)[C@@H]5CCOC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2ccc(N3CC4(CCC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2ccc(N3CC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.OOC#COO.

What is the InChIKey of 2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is ASWFUBIEZMQEGE-LHLYQOSOSA-N. The full InChI is InChI=1S/C31H31FN6O2S.C26H25FN6S.C25H24FN7S.C20H15BrFN5S.C6H11N.C2H2O4/c1-3-24-28(36(2)30-34-27(26(15-33)41-30)19-4-6-22(32)7-5-19)25-12-23(8-10-38(25)35-24)37-17-31(18-37)13-21(14-31)29(39)20-9-11-40-16-20;1-3-20-24(21-13-19(9-12-33(21)30-20)32-15-26(16-32)10-4-11-26)31(2)25-29-23(22(14-28)34-25)17-5-7-18(27)8-6-17;1-3-19-23(20-10-18(8-9-33(20)30-19)32-14-25(15-32)12-28-13-25)31(2)24-29-22(21(11-27)34-24)16-4-6-17(26)7-5-16;1-3-15-19(16-10-13(21)8-9-27(16)25-15)26(2)20-24-18(17(11-23)28-20)12-4-6-14(22)7-5-12;1-2-6(3-1)4-7-5-6;3-5-1-2-6-4/h4-8,10,12,20-21H,3,9,11,13-14,16-18H2,1-2H3;5-9,12-13H,3-4,10-11,15-16H2,1-2H3;4-10,28H,3,12-15H2,1-2H3;4-10H,3H2,1-2H3;7H,1-5H2;3-4H/t20-;;;;;/m1...../s1.

What are the key properties of 2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 2160.41 g/mol, XLogP of 21.82, 21 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azaspiro[3.3]heptane;2-[[5-(2-azaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1,2-dihydroperoxyethyne;2-[[2-ethyl-5-[6-[(3R)-oxolane-3-carbonyl]-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 157219987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).