1,1,1-trifluoropropan-2-yl 1-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate

C130H168F20N30O20 — CID 159301062

IUPAC1,1,1-trifluoropropan-2-yl 1-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(OC(=O)N1CCC(C)(N(C)C(=O)c2cnc3cccnn23)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cn3c(n2)CN(CC2(C)COC2)CC3)CC1)C(F)(F)F.COCC(C)N1CCn2cc(C(=O)N3CCCC34CCN(C(=O)OC(C)C(F)(F)F)CC4)nc2C1.Cc1cc(C)n2nc(C)c(C(=O)N3CCCC34CCN(C(=O)OC(C)C(F)(F)F)CC4)c2n1.Cc1nn2cccnc2c1C(=O)N1CCCC12CCN(C(=O)OC(C)C(F)(F)F)CC2
InChIInChI=1S/C24H34F3N5O4.C23H26F5N5O3.C23H34F3N5O4.C22H28F3N5O3.C20H24F3N5O3.C18H22F3N5O3/c1-17(24(25,26)27)36-21(34)30-8-5-23(6-9-30)4-3-7-32(23)20(33)18-12-31-11-10-29(13-19(31)28-18)14-22(2)15-35-16-22;1-13(23(26,27)28)36-21(35)31-9-6-22(7-10-31)5-2-8-32(22)20(34)16-12-18-29-15(14-3-4-14)11-17(19(24)25)33(18)30-16;1-16(15-34-3)29-11-12-30-13-18(27-19(30)14-29)20(32)31-8-4-5-22(31)6-9-28(10-7-22)21(33)35-17(2)23(24,25)26;1-13-12-14(2)30-18(26-13)17(15(3)27-30)19(31)29-9-5-6-21(29)7-10-28(11-8-21)20(32)33-16(4)22(23,24)25;1-13-15(16-24-8-4-10-28(16)25-13)17(29)27-9-3-5-19(27)6-11-26(12-7-19)18(30)31-14(2)20(21,22)23;1-12(18(19,20)21)29-16(28)25-9-6-17(2,7-10-25)24(3)15(27)13-11-22-14-5-4-8-23-26(13)14/h12,17H,3-11,13-16H2,1-2H3;11-14,19H,2-10H2,1H3;13,16-17H,4-12,14-15H2,1-3H3;12,16H,5-11H2,1-4H3;4,8,10,14H,3,5-7,9,11-12H2,1-2H3;4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyLBINPFFIXOYYKL-UHFFFAOYSA-N
MW2850.92 g/mol
LogP20.24
Rot. Bonds20

About 1,1,1-trifluoropropan-2-yl 1-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate

1,1,1-trifluoropropan-2-yl 1-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 159301062) has the molecular formula C130H168F20N30O20 and a molecular weight of 2850.92 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl 1-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-yl 1-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID159301062
Molecular FormulaC130H168F20N30O20
Molecular Weight2850.92 g/mol
Exact Mass2849.27
IUPAC Name1,1,1-trifluoropropan-2-yl 1-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(OC(=O)N1CCC(C)(N(C)C(=O)c2cnc3cccnn23)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cn3c(n2)CN(CC2(C)COC2)CC3)CC1)C(F)(F)F.COCC(C)N1CCn2cc(C(=O)N3CCCC34CCN(C(=O)OC(C)C(F)(F)F)CC4)nc2C1.Cc1cc(C)n2nc(C)c(C(=O)N3CCCC34CCN(C(=O)OC(C)C(F)(F)F)CC4)c2n1.Cc1nn2cccnc2c1C(=O)N1CCCC12CCN(C(=O)OC(C)C(F)(F)F)CC2
InChIInChI=1S/C24H34F3N5O4.C23H26F5N5O3.C23H34F3N5O4.C22H28F3N5O3.C20H24F3N5O3.C18H22F3N5O3/c1-17(24(25,26)27)36-21(34)30-8-5-23(6-9-30)4-3-7-32(23)20(33)18-12-31-11-10-29(13-19(31)28-18)14-22(2)15-35-16-22;1-13(23(26,27)28)36-21(35)31-9-6-22(7-10-31)5-2-8-32(22)20(34)16-12-18-29-15(14-3-4-14)11-17(19(24)25)33(18)30-16;1-16(15-34-3)29-11-12-30-13-18(27-19(30)14-29)20(32)31-8-4-5-22(31)6-9-28(10-7-22)21(33)35-17(2)23(24,25)26;1-13-12-14(2)30-18(26-13)17(15(3)27-30)19(31)29-9-5-6-21(29)7-10-28(11-8-21)20(32)33-16(4)22(23,24)25;1-13-15(16-24-8-4-10-28(16)25-13)17(29)27-9-3-5-19(27)6-11-26(12-7-19)18(30)31-14(2)20(21,22)23;1-12(18(19,20)21)29-16(28)25-9-6-17(2,7-10-25)24(3)15(27)13-11-22-14-5-4-8-23-26(13)14/h12,17H,3-11,13-16H2,1-2H3;11-14,19H,2-10H2,1H3;13,16-17H,4-12,14-15H2,1-3H3;12,16H,5-11H2,1-4H3;4,8,10,14H,3,5-7,9,11-12H2,1-2H3;4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyLBINPFFIXOYYKL-UHFFFAOYSA-N
XLogP20.24
TPSA480.44 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds20
Heavy Atoms200
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002850.92
LogP ≤ 520.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoropropan-2-yl 1-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yl 1-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[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-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate (CID 159301062) is 1,1,1-trifluoropropan-2-yl 1-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[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-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[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-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate is CC(OC(=O)N1CCC(C)(N(C)C(=O)c2cnc3cccnn23)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cn3c(n2)CN(CC2(C)COC2)CC3)CC1)C(F)(F)F.COCC(C)N1CCn2cc(C(=O)N3CCCC34CCN(C(=O)OC(C)C(F)(F)F)CC4)nc2C1.Cc1cc(C)n2nc(C)c(C(=O)N3CCCC34CCN(C(=O)OC(C)C(F)(F)F)CC4)c2n1.Cc1nn2cccnc2c1C(=O)N1CCCC12CCN(C(=O)OC(C)C(F)(F)F)CC2.
What is the InChIKey of 1,1,1-trifluoropropan-2-yl 1-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is LBINPFFIXOYYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N5O4.C23H26F5N5O3.C23H34F3N5O4.C22H28F3N5O3.C20H24F3N5O3.C18H22F3N5O3/c1-17(24(25,26)27)36-21(34)30-8-5-23(6-9-30)4-3-7-32(23)20(33)18-12-31-11-10-29(13-19(31)28-18)14-22(2)15-35-16-22;1-13(23(26,27)28)36-21(35)31-9-6-22(7-10-31)5-2-8-32(22)20(34)16-12-18-29-15(14-3-4-14)11-17(19(24)25)33(18)30-16;1-16(15-34-3)29-11-12-30-13-18(27-19(30)14-29)20(32)31-8-4-5-22(31)6-9-28(10-7-22)21(33)35-17(2)23(24,25)26;1-13-12-14(2)30-18(26-13)17(15(3)27-30)19(31)29-9-5-6-21(29)7-10-28(11-8-21)20(32)33-16(4)22(23,24)25;1-13-15(16-24-8-4-10-28(16)25-13)17(29)27-9-3-5-19(27)6-11-26(12-7-19)18(30)31-14(2)20(21,22)23;1-12(18(19,20)21)29-16(28)25-9-6-17(2,7-10-25)24(3)15(27)13-11-22-14-5-4-8-23-26(13)14/h12,17H,3-11,13-16H2,1-2H3;11-14,19H,2-10H2,1H3;13,16-17H,4-12,14-15H2,1-3H3;12,16H,5-11H2,1-4H3;4,8,10,14H,3,5-7,9,11-12H2,1-2H3;4-5,8,11-12H,6-7,9-10H2,1-3H3.
What are the key properties of 1,1,1-trifluoropropan-2-yl 1-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?
1,1,1-trifluoropropan-2-yl 1-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 2850.92 g/mol, XLogP of 20.24, 20 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-yl 1-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(1-methoxypropan-2-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-[(3-methyloxetan-3-yl)methyl]-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-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 159301062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).