1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate

C129H168F21N25O16S — CID 158331132

About 1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate

1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 158331132) has the molecular formula C129H168F21N25O16S and a molecular weight of 2755.95 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

• Compound Name: 1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
• PubChem CID: 158331132
• Molecular Formula: C129H168F21N25O16S
• Molecular Weight: 2755.95 g/mol
• Exact Mass: 2754.25
• IUPAC Name: 1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
• SMILES: CC(OC(=O)N1CCC2(CCCN2C(=O)c2cn3ccccc3n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cncnc2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCN(Cc3cccnc3)C2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCN(Cc3cncnc3)C2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCN(Cc3ncccn3)C2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCN(Cc3nccs3)C2)CC1)C(F)(F)F.Cc1cc(C)c2[nH]c(CN3CCCC34CCN(C(=O)OC(C)C(F)(F)F)CC4)c(C)c2c1
• InChI: InChI=1S/C24H32F3N3O2.C20H23F3N4O3.C18H24F3N3O2.C17H21F3N4O3.2C17H23F3N4O2.C16H22F3N3O2S/c1-15-12-16(2)21-19(13-15)17(3)20(28-21)14-30-9-5-6-23(30)7-10-29(11-8-23)22(31)32-18(4)24(25,26)27;1-14(20(21,22)23)30-18(29)25-11-7-19(8-12-25)6-4-10-27(19)17(28)15-13-26-9-3-2-5-16(26)24-15;1-14(18(19,20)21)26-16(25)24-9-5-17(6-10-24)4-8-23(13-17)12-15-3-2-7-22-11-15;1-12(17(18,19)20)27-15(26)23-7-4-16(5-8-23)3-2-6-24(16)14(25)13-9-21-11-22-10-13;1-13(17(18,19)20)26-15(25)24-9-4-16(5-10-24)3-8-23(12-16)11-14-21-6-2-7-22-14;1-13(17(18,19)20)26-15(25)24-6-3-16(4-7-24)2-5-23(11-16)10-14-8-21-12-22-9-14;1-12(16(17,18)19)24-14(23)22-7-3-15(4-8-22)2-6-21(11-15)10-13-20-5-9-25-13/h12-13,18,28H,5-11,14H2,1-4H3;2-3,5,9,13-14H,4,6-8,10-12H2,1H3;2-3,7,11,14H,4-6,8-10,12-13H2,1H3;9-12H,2-8H2,1H3;2,6-7,13H,3-5,8-12H2,1H3;8-9,12-13H,2-7,10-11H2,1H3;5,9,12H,2-4,6-8,10-11H2,1H3
• InChIKey: GQAIDPAIXRKXDE-UHFFFAOYSA-N
• XLogP: 24.42
• TPSA: 399.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2755.95
LogP ≤ 5	24.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The IUPAC name of 1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate (CID 158331132) is 1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate.

What is the SMILES notation for 1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The canonical SMILES for 1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate is CC(OC(=O)N1CCC2(CCCN2C(=O)c2cn3ccccc3n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cncnc2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCN(Cc3cccnc3)C2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCN(Cc3cncnc3)C2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCN(Cc3ncccn3)C2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCN(Cc3nccs3)C2)CC1)C(F)(F)F.Cc1cc(C)c2[nH]c(CN3CCCC34CCN(C(=O)OC(C)C(F)(F)F)CC4)c(C)c2c1.

What is the InChIKey of 1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The InChIKey is GQAIDPAIXRKXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O2.C20H23F3N4O3.C18H24F3N3O2.C17H21F3N4O3.2C17H23F3N4O2.C16H22F3N3O2S/c1-15-12-16(2)21-19(13-15)17(3)20(28-21)14-30-9-5-6-23(30)7-10-29(11-8-23)22(31)32-18(4)24(25,26)27;1-14(20(21,22)23)30-18(29)25-11-7-19(8-12-25)6-4-10-27(19)17(28)15-13-26-9-3-2-5-16(26)24-15;1-14(18(19,20)21)26-16(25)24-9-5-17(6-10-24)4-8-23(13-17)12-15-3-2-7-22-11-15;1-12(17(18,19)20)27-15(26)23-7-4-16(5-8-23)3-2-6-24(16)14(25)13-9-21-11-22-10-13;1-13(17(18,19)20)26-15(25)24-9-4-16(5-10-24)3-8-23(12-16)11-14-21-6-2-7-22-14;1-13(17(18,19)20)26-15(25)24-6-3-16(4-7-24)2-5-23(11-16)10-14-8-21-12-22-9-14;1-12(16(17,18)19)24-14(23)22-7-3-15(4-8-22)2-6-21(11-15)10-13-20-5-9-25-13/h12-13,18,28H,5-11,14H2,1-4H3;2-3,5,9,13-14H,4,6-8,10-12H2,1H3;2-3,7,11,14H,4-6,8-10,12-13H2,1H3;9-12H,2-8H2,1H3;2,6-7,13H,3-5,8-12H2,1H3;8-9,12-13H,2-7,10-11H2,1H3;5,9,12H,2-4,6-8,10-11H2,1H3.

What are the key properties of 1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 2755.95 g/mol, XLogP of 24.42, 19 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 158331132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).