1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate

C105H131Cl2F18N21O19 — CID 157271212

About 1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate

1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 157271212) has the molecular formula C105H131Cl2F18N21O19 and a molecular weight of 2404.20 g/mol. Its IUPAC name is 1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

• Compound Name: 1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
• PubChem CID: 157271212
• Molecular Formula: C105H131Cl2F18N21O19
• Molecular Weight: 2404.20 g/mol
• Exact Mass: 2401.90
• IUPAC Name: 1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
• SMILES: CC(OC(=O)N1CCC2(CCCN2C(=O)c2cccnc2N2CCC(C(=O)O)CC2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cncnc2C(F)(F)F)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2nn(C)cc2Cl)CC1)C(F)(F)F.Cc1cc(C)n2nc(C(=O)N3CCCC34CCN(C(=O)OC(C)C(F)(F)F)CC4)c(Cl)c2n1.Cc1ccc(C(=O)N2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)c(N2CCC(C(=O)O)CC2)n1
• InChI: InChI=1S/C25H33F3N4O5.C24H31F3N4O5.C21H25ClF3N5O3.C18H20F6N4O3.C17H22ClF3N4O3/c1-16-4-5-19(20(29-16)30-12-6-18(7-13-30)22(34)35)21(33)32-11-3-8-24(32)9-14-31(15-10-24)23(36)37-17(2)25(26,27)28;1-16(24(25,26)27)36-22(35)30-14-8-23(9-15-30)7-3-11-31(23)20(32)18-4-2-10-28-19(18)29-12-5-17(6-13-29)21(33)34;1-12-11-13(2)30-17(26-12)15(22)16(27-30)18(31)29-8-4-5-20(29)6-9-28(10-7-20)19(32)33-14(3)21(23,24)25;1-11(17(19,20)21)31-15(30)27-7-4-16(5-8-27)3-2-6-28(16)14(29)12-9-25-10-26-13(12)18(22,23)24;1-11(17(19,20)21)28-15(27)24-8-5-16(6-9-24)4-3-7-25(16)14(26)13-12(18)10-23(2)22-13/h4-5,17-18H,3,6-15H2,1-2H3,(H,34,35);2,4,10,16-17H,3,5-9,11-15H2,1H3,(H,33,34);11,14H,4-10H2,1-3H3;9-11H,2-8H2,1H3;10-11H,3-9H2,1-2H3
• InChIKey: AYOGFFACYZFSPO-UHFFFAOYSA-N
• XLogP: 18.43
• TPSA: 429.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2404.20
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The IUPAC name of 1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate (CID 157271212) is 1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate.

What is the SMILES notation for 1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The canonical SMILES for 1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate is CC(OC(=O)N1CCC2(CCCN2C(=O)c2cccnc2N2CCC(C(=O)O)CC2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cncnc2C(F)(F)F)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2nn(C)cc2Cl)CC1)C(F)(F)F.Cc1cc(C)n2nc(C(=O)N3CCCC34CCN(C(=O)OC(C)C(F)(F)F)CC4)c(Cl)c2n1.Cc1ccc(C(=O)N2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)c(N2CCC(C(=O)O)CC2)n1.

What is the InChIKey of 1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The InChIKey is AYOGFFACYZFSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N4O5.C24H31F3N4O5.C21H25ClF3N5O3.C18H20F6N4O3.C17H22ClF3N4O3/c1-16-4-5-19(20(29-16)30-12-6-18(7-13-30)22(34)35)21(33)32-11-3-8-24(32)9-14-31(15-10-24)23(36)37-17(2)25(26,27)28;1-16(24(25,26)27)36-22(35)30-14-8-23(9-15-30)7-3-11-31(23)20(32)18-4-2-10-28-19(18)29-12-5-17(6-13-29)21(33)34;1-12-11-13(2)30-17(26-12)15(22)16(27-30)18(31)29-8-4-5-20(29)6-9-28(10-7-20)19(32)33-14(3)21(23,24)25;1-11(17(19,20)21)31-15(30)27-7-4-16(5-8-27)3-2-6-28(16)14(29)12-9-25-10-26-13(12)18(22,23)24;1-11(17(19,20)21)28-15(27)24-8-5-16(6-9-24)4-3-7-25(16)14(26)13-12(18)10-23(2)22-13/h4-5,17-18H,3,6-15H2,1-2H3,(H,34,35);2,4,10,16-17H,3,5-9,11-15H2,1H3,(H,33,34);11,14H,4-10H2,1-3H3;9-11H,2-8H2,1H3;10-11H,3-9H2,1-2H3.

What are the key properties of 1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 2404.20 g/mol, XLogP of 18.43, 14 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-methyl-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1-[3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-2-pyridinyl]piperidine-4-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[4-(trifluoromethyl)pyrimidine-5-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 157271212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).