1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate

C113H154Cl2F15N21O13 — CID 157252771

About 1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate

1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 157252771) has the molecular formula C113H154Cl2F15N21O13 and a molecular weight of 2370.48 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

• Compound Name: 1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate
• PubChem CID: 157252771
• Molecular Formula: C113H154Cl2F15N21O13
• Molecular Weight: 2370.48 g/mol
• Exact Mass: 2368.12
• IUPAC Name: 1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate
• SMILES: CC(C)n1cc(CN2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)c(-c2cccc(N3CCCC3)c2)n1.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cn3c(n2)CN(C2CCOC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2Cc2cc3c(Cl)cc(Cl)cc3[nH]2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCN(Cc3cccnn3)C2)CC1)C(F)(F)F.CCc1cc(CN2CCC3(CCN(C(=O)OC(C)C(F)(F)F)CC3)C2)n(C2CCOCC2)n1
• InChI: InChI=1S/C29H40F3N5O2.C23H32F3N5O4.C23H35F3N4O3.C21H24Cl2F3N3O2.C17H23F3N4O2/c1-21(2)37-20-24(26(33-37)23-8-6-9-25(18-23)34-13-4-5-14-34)19-36-15-7-10-28(36)11-16-35(17-12-28)27(38)39-22(3)29(30,31)32;1-16(23(24,25)26)35-21(33)28-8-5-22(6-9-28)4-2-7-31(22)20(32)18-13-30-11-10-29(14-19(30)27-18)17-3-12-34-15-17;1-3-18-14-20(30(27-18)19-4-12-32-13-5-19)15-28-9-6-22(16-28)7-10-29(11-8-22)21(31)33-17(2)23(24,25)26;1-13(21(24,25)26)31-19(30)28-7-4-20(5-8-28)3-2-6-29(20)12-15-11-16-17(23)9-14(22)10-18(16)27-15;1-13(17(18,19)20)26-15(25)24-9-5-16(6-10-24)4-8-23(12-16)11-14-3-2-7-21-22-14/h6,8-9,18,20-22H,4-5,7,10-17,19H2,1-3H3;13,16-17H,2-12,14-15H2,1H3;14,17,19H,3-13,15-16H2,1-2H3;9-11,13,27H,2-8,12H2,1H3;2-3,7,13H,4-6,8-12H2,1H3
• InChIKey: AWNJNVRMEAVRSL-UHFFFAOYSA-N
• XLogP: 21.91
• TPSA: 300.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2370.48
LogP ≤ 5	21.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate?

The IUPAC name of 1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 157252771) is 1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate.

What is the SMILES notation for 1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate?

The canonical SMILES for 1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)n1cc(CN2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)c(-c2cccc(N3CCCC3)c2)n1.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cn3c(n2)CN(C2CCOC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2Cc2cc3c(Cl)cc(Cl)cc3[nH]2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCN(Cc3cccnn3)C2)CC1)C(F)(F)F.CCc1cc(CN2CCC3(CCN(C(=O)OC(C)C(F)(F)F)CC3)C2)n(C2CCOCC2)n1.

What is the InChIKey of 1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate?

The InChIKey is AWNJNVRMEAVRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40F3N5O2.C23H32F3N5O4.C23H35F3N4O3.C21H24Cl2F3N3O2.C17H23F3N4O2/c1-21(2)37-20-24(26(33-37)23-8-6-9-25(18-23)34-13-4-5-14-34)19-36-15-7-10-28(36)11-16-35(17-12-28)27(38)39-22(3)29(30,31)32;1-16(23(24,25)26)35-21(33)28-8-5-22(6-9-28)4-2-7-31(22)20(32)18-13-30-11-10-29(14-19(30)27-18)17-3-12-34-15-17;1-3-18-14-20(30(27-18)19-4-12-32-13-5-19)15-28-9-6-22(16-28)7-10-29(11-8-22)21(31)33-17(2)23(24,25)26;1-13(21(24,25)26)31-19(30)28-7-4-20(5-8-28)3-2-6-29(20)12-15-11-16-17(23)9-14(22)10-18(16)27-15;1-13(17(18,19)20)26-15(25)24-9-5-16(6-10-24)4-8-23(12-16)11-14-3-2-7-21-22-14/h6,8-9,18,20-22H,4-5,7,10-17,19H2,1-3H3;13,16-17H,2-12,14-15H2,1H3;14,17,19H,3-13,15-16H2,1-2H3;9-11,13,27H,2-8,12H2,1H3;2-3,7,13H,4-6,8-12H2,1H3.

What are the key properties of 1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate?

1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 2370.48 g/mol, XLogP of 21.91, 20 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoropropan-2-yl 1-[(4,6-dichloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[3-ethyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[[1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridazin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 157252771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).