5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one

C67H86F6N10O7S — CID 160797507

IUPAC5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CC3(F)COC3)C(=O)N2CC2CC2)C1.CN(C)C1(c2cccc(F)c2)CC2(CN(CCS(C)(=O)=O)C(=O)N2CC2CC2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2CC2)C1
InChIInChI=1S/C24H27F3N4O2.C22H29F2N3O2.C21H30FN3O3S/c1-29(2)23(18-6-4-3-5-7-18)14-22(15-23)16-30(21(32)31(22)13-17-8-9-17)20-11-10-19(12-28-20)33-24(25,26)27;1-25(2)22(17-4-3-5-18(23)8-17)10-21(11-22)13-26(12-20(24)14-29-15-20)19(28)27(21)9-16-6-7-16;1-23(2)21(17-5-4-6-18(22)11-17)13-20(14-21)15-24(9-10-29(3,27)28)19(26)25(20)12-16-7-8-16/h3-7,10-12,17H,8-9,13-16H2,1-2H3;3-5,8,16H,6-7,9-15H2,1-2H3;4-6,11,16H,7-10,12-15H2,1-3H3
InChIKeySCPZXDMLNJBEFE-UHFFFAOYSA-N
MW1289.54 g/mol
LogP9.93
Rot. Bonds19

About 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one

5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 160797507) has the molecular formula C67H86F6N10O7S and a molecular weight of 1289.54 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
PubChem CID160797507
Molecular FormulaC67H86F6N10O7S
Molecular Weight1289.54 g/mol
Exact Mass1288.63
IUPAC Name5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CC3(F)COC3)C(=O)N2CC2CC2)C1.CN(C)C1(c2cccc(F)c2)CC2(CN(CCS(C)(=O)=O)C(=O)N2CC2CC2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2CC2)C1
InChIInChI=1S/C24H27F3N4O2.C22H29F2N3O2.C21H30FN3O3S/c1-29(2)23(18-6-4-3-5-7-18)14-22(15-23)16-30(21(32)31(22)13-17-8-9-17)20-11-10-19(12-28-20)33-24(25,26)27;1-25(2)22(17-4-3-5-18(23)8-17)10-21(11-22)13-26(12-20(24)14-29-15-20)19(28)27(21)9-16-6-7-16;1-23(2)21(17-5-4-6-18(22)11-17)13-20(14-21)15-24(9-10-29(3,27)28)19(26)25(20)12-16-7-8-16/h3-7,10-12,17H,8-9,13-16H2,1-2H3;3-5,8,16H,6-7,9-15H2,1-2H3;4-6,11,16H,7-10,12-15H2,1-3H3
InChIKeySCPZXDMLNJBEFE-UHFFFAOYSA-N
XLogP9.93
TPSA145.86 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001289.54
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one with MolForge

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Related Compounds

5-(Cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[4-(2-hydroxypropan-2-yl)phenyl]-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
CID 158757374
5-(Cyclopropylmethyl)-7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
CID 159117558
5-(Cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[4-(2-hydroxypropan-2-yl)phenyl]-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
CID 159246859
6-[5-(Cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
CID 159859529
5-(Cyclopropylmethyl)-7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-7-(6-cyclopropyl-3-pyridinyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
CID 161915684

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one (CID 160797507) is 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one is CN(C)C1(c2cccc(F)c2)CC2(CN(CC3(F)COC3)C(=O)N2CC2CC2)C1.CN(C)C1(c2cccc(F)c2)CC2(CN(CCS(C)(=O)=O)C(=O)N2CC2CC2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2CC2)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is SCPZXDMLNJBEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2.C22H29F2N3O2.C21H30FN3O3S/c1-29(2)23(18-6-4-3-5-7-18)14-22(15-23)16-30(21(32)31(22)13-17-8-9-17)20-11-10-19(12-28-20)33-24(25,26)27;1-25(2)22(17-4-3-5-18(23)8-17)10-21(11-22)13-26(12-20(24)14-29-15-20)19(28)27(21)9-16-6-7-16;1-23(2)21(17-5-4-6-18(22)11-17)13-20(14-21)15-24(9-10-29(3,27)28)19(26)25(20)12-16-7-8-16/h3-7,10-12,17H,8-9,13-16H2,1-2H3;3-5,8,16H,6-7,9-15H2,1-2H3;4-6,11,16H,7-10,12-15H2,1-3H3.
What are the key properties of 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?
5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 1289.54 g/mol, XLogP of 9.93, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 160797507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).