3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one

C186H227F20N39O14S2 — CID 159091030

IUPAC3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C(=O)C1CC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CC1CC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CCO)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1S(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1ccc(N3CCC3)nc1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCC3)cc1F)C(=O)N2.Cc1cc(N2CCC2)cnc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C25H32FN5O.C24H27F4N5O2.C24H29F4N5O.2C24H30FN5O.C22H27F4N5O2.C22H27FN4O3S.C21H25F4N5O3S/c1-18-14-21(30-12-5-13-30)16-27-22(18)31-17-24(28-23(31)32)8-10-25(11-9-24,29(2)3)19-6-4-7-20(26)15-19;1-31(2)23(16-4-3-5-17(25)12-16)10-8-22(9-11-23)14-32(21(35)29-22)19-13-18(24(26,27)28)30-33(19)20(34)15-6-7-15;1-31(2)23(17-4-3-5-18(25)12-17)10-8-22(9-11-23)15-32(21(34)29-22)20-13-19(24(26,27)28)30-33(20)14-16-6-7-16;1-28(2)24(18-5-3-6-19(25)15-18)11-9-23(10-12-24)17-30(22(31)27-23)20-7-8-21(26-16-20)29-13-4-14-29;1-28(2)24(18-7-4-3-5-8-18)11-9-23(10-12-24)17-30(22(31)27-23)20-16-26-21(15-19(20)25)29-13-6-14-29;1-29(2)21(15-4-3-5-16(23)12-15)8-6-20(7-9-21)14-30(19(33)27-20)18-13-17(22(24,25)26)28-31(18)10-11-32;1-26(2)22(16-5-4-6-17(23)13-16)11-9-21(10-12-22)15-27(20(28)25-21)19-8-7-18(14-24-19)31(3,29)30;1-28(2)20(14-5-4-6-15(22)11-14)9-7-19(8-10-20)13-29(18(31)26-19)17-12-16(21(23,24)25)27-30(17)34(3,32)33/h4,6-7,14-16H,5,8-13,17H2,1-3H3,(H,28,32);3-5,12-13,15H,6-11,14H2,1-2H3,(H,29,35);3-5,12-13,16H,6-11,14-15H2,1-2H3,(H,29,34);3,5-8,15-16H,4,9-14,17H2,1-2H3,(H,27,31);3-5,7-8,15-16H,6,9-14,17H2,1-2H3,(H,27,31);3-5,12-13,32H,6-11,14H2,1-2H3,(H,27,33);4-8,13-14H,9-12,15H2,1-3H3,(H,25,28);4-6,11-12H,7-10,13H2,1-3H3,(H,26,31)
InChIKeyKCBDHLVMIJZAFM-UHFFFAOYSA-N
MW3677.21 g/mol
LogP30.05
Rot. Bonds34

About 3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one

3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 159091030) has the molecular formula C186H227F20N39O14S2 and a molecular weight of 3677.21 g/mol. Its IUPAC name is 3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID159091030
Molecular FormulaC186H227F20N39O14S2
Molecular Weight3677.21 g/mol
Exact Mass3674.74
IUPAC Name3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C(=O)C1CC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CC1CC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CCO)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1S(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1ccc(N3CCC3)nc1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCC3)cc1F)C(=O)N2.Cc1cc(N2CCC2)cnc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C25H32FN5O.C24H27F4N5O2.C24H29F4N5O.2C24H30FN5O.C22H27F4N5O2.C22H27FN4O3S.C21H25F4N5O3S/c1-18-14-21(30-12-5-13-30)16-27-22(18)31-17-24(28-23(31)32)8-10-25(11-9-24,29(2)3)19-6-4-7-20(26)15-19;1-31(2)23(16-4-3-5-17(25)12-16)10-8-22(9-11-23)14-32(21(35)29-22)19-13-18(24(26,27)28)30-33(19)20(34)15-6-7-15;1-31(2)23(17-4-3-5-18(25)12-17)10-8-22(9-11-23)15-32(21(34)29-22)20-13-19(24(26,27)28)30-33(20)14-16-6-7-16;1-28(2)24(18-5-3-6-19(25)15-18)11-9-23(10-12-24)17-30(22(31)27-23)20-7-8-21(26-16-20)29-13-4-14-29;1-28(2)24(18-7-4-3-5-8-18)11-9-23(10-12-24)17-30(22(31)27-23)20-16-26-21(15-19(20)25)29-13-6-14-29;1-29(2)21(15-4-3-5-16(23)12-15)8-6-20(7-9-21)14-30(19(33)27-20)18-13-17(22(24,25)26)28-31(18)10-11-32;1-26(2)22(16-5-4-6-17(23)13-16)11-9-21(10-12-22)15-27(20(28)25-21)19-8-7-18(14-24-19)31(3,29)30;1-28(2)20(14-5-4-6-15(22)11-14)9-7-19(8-10-20)13-29(18(31)26-19)17-12-16(21(23,24)25)27-30(17)34(3,32)33/h4,6-7,14-16H,5,8-13,17H2,1-3H3,(H,28,32);3-5,12-13,15H,6-11,14H2,1-2H3,(H,29,35);3-5,12-13,16H,6-11,14-15H2,1-2H3,(H,29,34);3,5-8,15-16H,4,9-14,17H2,1-2H3,(H,27,31);3-5,7-8,15-16H,6,9-14,17H2,1-2H3,(H,27,31);3-5,12-13,32H,6-11,14H2,1-2H3,(H,27,33);4-8,13-14H,9-12,15H2,1-3H3,(H,25,28);4-6,11-12H,7-10,13H2,1-3H3,(H,26,31)
InChIKeyKCBDHLVMIJZAFM-UHFFFAOYSA-N
XLogP30.05
TPSA522.78 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds34
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003677.21
LogP ≤ 530.05
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Analyze 3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one (CID 159091030) is 3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C(=O)C1CC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CC1CC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CCO)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1S(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1ccc(N3CCC3)nc1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCC3)cc1F)C(=O)N2.Cc1cc(N2CCC2)cnc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is KCBDHLVMIJZAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O.C24H27F4N5O2.C24H29F4N5O.2C24H30FN5O.C22H27F4N5O2.C22H27FN4O3S.C21H25F4N5O3S/c1-18-14-21(30-12-5-13-30)16-27-22(18)31-17-24(28-23(31)32)8-10-25(11-9-24,29(2)3)19-6-4-7-20(26)15-19;1-31(2)23(16-4-3-5-17(25)12-16)10-8-22(9-11-23)14-32(21(35)29-22)19-13-18(24(26,27)28)30-33(19)20(34)15-6-7-15;1-31(2)23(17-4-3-5-18(25)12-17)10-8-22(9-11-23)15-32(21(34)29-22)20-13-19(24(26,27)28)30-33(20)14-16-6-7-16;1-28(2)24(18-5-3-6-19(25)15-18)11-9-23(10-12-24)17-30(22(31)27-23)20-7-8-21(26-16-20)29-13-4-14-29;1-28(2)24(18-7-4-3-5-8-18)11-9-23(10-12-24)17-30(22(31)27-23)20-16-26-21(15-19(20)25)29-13-6-14-29;1-29(2)21(15-4-3-5-16(23)12-15)8-6-20(7-9-21)14-30(19(33)27-20)18-13-17(22(24,25)26)28-31(18)10-11-32;1-26(2)22(16-5-4-6-17(23)13-16)11-9-21(10-12-22)15-27(20(28)25-21)19-8-7-18(14-24-19)31(3,29)30;1-28(2)20(14-5-4-6-15(22)11-14)9-7-19(8-10-20)13-29(18(31)26-19)17-12-16(21(23,24)25)27-30(17)34(3,32)33/h4,6-7,14-16H,5,8-13,17H2,1-3H3,(H,28,32);3-5,12-13,15H,6-11,14H2,1-2H3,(H,29,35);3-5,12-13,16H,6-11,14-15H2,1-2H3,(H,29,34);3,5-8,15-16H,4,9-14,17H2,1-2H3,(H,27,31);3-5,7-8,15-16H,6,9-14,17H2,1-2H3,(H,27,31);3-5,12-13,32H,6-11,14H2,1-2H3,(H,27,33);4-8,13-14H,9-12,15H2,1-3H3,(H,25,28);4-6,11-12H,7-10,13H2,1-3H3,(H,26,31).
What are the key properties of 3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 3677.21 g/mol, XLogP of 30.05, 34 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(azetidin-1-yl)-4-fluoro-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-(azetidin-1-yl)-3-methyl-2-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[6-(azetidin-1-yl)-3-pyridinyl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 159091030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).