1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate

C106H124ClF22N25O16 — CID 162069395

About 1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate

1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 162069395) has the molecular formula C106H124ClF22N25O16 and a molecular weight of 2457.73 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

• Compound Name: 1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
• PubChem CID: 162069395
• Molecular Formula: C106H124ClF22N25O16
• Molecular Weight: 2457.73 g/mol
• Exact Mass: 2455.90
• IUPAC Name: 1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
• SMILES: CC(OC(=O)N1CCC2(CCCN2C(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cc3nccc(C(F)(F)F)n3n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cc3nccc(C4CC4)n3n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cn3c(n2)CN(C2CCOCC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cn3nc(Cl)ccc3n2)CC1)C(F)(F)F
• InChI: InChI=1S/C24H34F3N5O4.C22H26F3N5O3.C21H22F7N5O3.C20H21F6N5O3.C19H21ClF3N5O3/c1-17(24(25,26)27)36-22(34)29-9-6-23(7-10-29)5-2-8-32(23)21(33)19-15-31-12-11-30(16-20(31)28-19)18-3-13-35-14-4-18;1-14(22(23,24)25)33-20(32)28-11-7-21(8-12-28)6-2-10-29(21)19(31)16-13-18-26-9-5-17(15-3-4-15)30(18)27-16;1-11(21(26,27)28)36-19(35)31-7-4-20(5-8-31)3-2-6-32(20)18(34)13-10-15-29-12(16(22)23)9-14(17(24)25)33(15)30-13;1-12(19(21,22)23)34-17(33)29-9-5-18(6-10-29)4-2-8-30(18)16(32)13-11-15-27-7-3-14(20(24,25)26)31(15)28-13;1-12(19(21,22)23)31-17(30)26-9-6-18(7-10-26)5-2-8-27(18)16(29)13-11-28-15(24-13)4-3-14(20)25-28/h15,17-18H,2-14,16H2,1H3;5,9,13-15H,2-4,6-8,10-12H2,1H3;9-11,16-17H,2-8H2,1H3;3,7,11-12H,2,4-6,8-10H2,1H3;3-4,11-12H,2,5-10H2,1H3
• InChIKey: ZAWJVEWUNLGJHI-UHFFFAOYSA-N
• XLogP: 19.01
• TPSA: 400.30 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 14
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2457.73
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

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-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The IUPAC name of 1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate (CID 162069395) is 1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate.

What is the SMILES notation for 1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The canonical SMILES for 1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate is CC(OC(=O)N1CCC2(CCCN2C(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cc3nccc(C(F)(F)F)n3n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cc3nccc(C4CC4)n3n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cn3c(n2)CN(C2CCOCC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cn3nc(Cl)ccc3n2)CC1)C(F)(F)F.

What is the InChIKey of 1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The InChIKey is ZAWJVEWUNLGJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N5O4.C22H26F3N5O3.C21H22F7N5O3.C20H21F6N5O3.C19H21ClF3N5O3/c1-17(24(25,26)27)36-22(34)29-9-6-23(7-10-29)5-2-8-32(23)21(33)19-15-31-12-11-30(16-20(31)28-19)18-3-13-35-14-4-18;1-14(22(23,24)25)33-20(32)28-11-7-21(8-12-28)6-2-10-29(21)19(31)16-13-18-26-9-5-17(15-3-4-15)30(18)27-16;1-11(21(26,27)28)36-19(35)31-7-4-20(5-8-31)3-2-6-32(20)18(34)13-10-15-29-12(16(22)23)9-14(17(24)25)33(15)30-13;1-12(19(21,22)23)34-17(33)29-9-5-18(6-10-29)4-2-8-30(18)16(32)13-11-15-27-7-3-14(20(24,25)26)31(15)28-13;1-12(19(21,22)23)31-17(30)26-9-6-18(7-10-26)5-2-8-27(18)16(29)13-11-28-15(24-13)4-3-14(20)25-28/h15,17-18H,2-14,16H2,1H3;5,9,13-15H,2-4,6-8,10-12H2,1H3;9-11,16-17H,2-8H2,1H3;3,7,11-12H,2,4-6,8-10H2,1H3;3-4,11-12H,2,5-10H2,1H3.

What are the key properties of 1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 2457.73 g/mol, XLogP of 19.01, 14 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 162069395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).