1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate

C116H144ClF18N27O19 — CID 161071645

About 1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate

1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 161071645) has the molecular formula C116H144ClF18N27O19 and a molecular weight of 2598.01 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

• Compound Name: 1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
• PubChem CID: 161071645
• Molecular Formula: C116H144ClF18N27O19
• Molecular Weight: 2598.01 g/mol
• Exact Mass: 2596.05
• IUPAC Name: 1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
• SMILES: CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnn3c2CCCC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnn3c2NCCC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnn3c2OCCC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnn3ccc(Cl)nc23)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnn3ccccc23)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnn3cccnc23)CC1)C(F)(F)F
• InChI: InChI=1S/C20H27F3N4O3.C20H23F3N4O3.C19H21ClF3N5O3.C19H26F3N5O3.C19H22F3N5O3.C19H25F3N4O4/c2*1-14(20(21,22)23)30-18(29)25-11-7-19(8-12-25)6-4-9-26(19)17(28)15-13-24-27-10-3-2-5-16(15)27;1-12(19(21,22)23)31-17(30)26-9-5-18(6-10-26)4-2-7-27(18)16(29)13-11-24-28-8-3-14(20)25-15(13)28;2*1-13(19(20,21)22)30-17(29)25-10-5-18(6-11-25)4-2-8-26(18)16(28)14-12-24-27-9-3-7-23-15(14)27;1-13(19(20,21)22)30-17(28)24-9-5-18(6-10-24)4-2-7-25(18)15(27)14-12-23-26-8-3-11-29-16(14)26/h13-14H,2-12H2,1H3;2-3,5,10,13-14H,4,6-9,11-12H2,1H3;3,8,11-12H,2,4-7,9-10H2,1H3;12-13,23H,2-11H2,1H3;3,7,9,12-13H,2,4-6,8,10-11H2,1H3;12-13H,2-11H2,1H3
• InChIKey: UESVORHROBHNMJ-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 451.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 12
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2598.01
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

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-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?

The IUPAC name of 1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate (CID 161071645) is 1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate.

What is the SMILES notation for 1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?

The canonical SMILES for 1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate is CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnn3c2CCCC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnn3c2NCCC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnn3c2OCCC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnn3ccc(Cl)nc23)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnn3ccccc23)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnn3cccnc23)CC1)C(F)(F)F.

What is the InChIKey of 1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?

The InChIKey is UESVORHROBHNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N4O3.C20H23F3N4O3.C19H21ClF3N5O3.C19H26F3N5O3.C19H22F3N5O3.C19H25F3N4O4/c2*1-14(20(21,22)23)30-18(29)25-11-7-19(8-12-25)6-4-9-26(19)17(28)15-13-24-27-10-3-2-5-16(15)27;1-12(19(21,22)23)31-17(30)26-9-5-18(6-10-26)4-2-7-27(18)16(29)13-11-24-28-8-3-14(20)25-15(13)28;2*1-13(19(20,21)22)30-17(29)25-10-5-18(6-11-25)4-2-8-26(18)16(28)14-12-24-27-9-3-7-23-15(14)27;1-13(19(20,21)22)30-17(28)24-9-5-18(6-10-24)4-2-7-25(18)15(27)14-12-23-26-8-3-11-29-16(14)26/h13-14H,2-12H2,1H3;2-3,5,10,13-14H,4,6-9,11-12H2,1H3;3,8,11-12H,2,4-7,9-10H2,1H3;12-13,23H,2-11H2,1H3;3,7,9,12-13H,2,4-6,8,10-11H2,1H3;12-13H,2-11H2,1H3.

What are the key properties of 1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?

1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 2598.01 g/mol, XLogP of 18.98, 12 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 161071645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).