8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one

C150H191N37O15S — CID 159099148

IUPAC8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one
SMILESC=C1CCC(N2CCC3(CC4CCC(C3)N4CC(O)c3ccc(-n4cnnn4)nc3)C2=O)=C1C.C=C1CCC(N2CCC3(CC4CCC(C3)N4CC(O)c3ccc(-n4cnnn4)nc3C)C2=O)=C1C.C=C1CCC(N2CCC3(CC4CCC(C3)N4C[C@H](O)c3ccc4c(c3C)COC4=O)C2=O)=C1C.C=C1CCC(N2CCC3(CCCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)=C1C.C=C1CCC(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)=C1C.C=S1(=O)C=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)CC1
InChIInChI=1S/C28H34N2O4.C26H33N7O2.C25H31N7O2.C25H33N7O2.C24H31N7O2.C22H29N7O3S/c1-16-4-9-24(17(16)2)29-11-10-28(27(29)33)12-19-5-6-20(13-28)30(19)14-25(31)21-7-8-22-23(18(21)3)15-34-26(22)32;1-16-4-8-22(17(16)2)31-11-10-26(25(31)35)12-19-5-6-20(13-26)32(19)14-23(34)21-7-9-24(28-18(21)3)33-15-27-29-30-33;1-16-3-7-21(17(16)2)30-10-9-25(24(30)34)11-19-5-6-20(12-25)31(19)14-22(33)18-4-8-23(26-13-18)32-15-27-28-29-32;1-17-5-7-21(18(17)2)31-14-11-25(24(31)34)9-4-12-30(13-10-25)15-22(33)20-6-8-23(27-19(20)3)32-16-26-28-29-32;1-16-4-6-20(17(16)2)30-13-10-24(23(30)33)8-11-29(12-9-24)14-21(32)19-5-7-22(26-18(19)3)31-15-25-27-28-31;1-16-18(3-4-20(24-16)29-15-23-25-26-29)19(30)13-27-9-6-22(7-10-27)8-11-28(21(22)31)17-5-12-33(2,32)14-17/h7-8,19-20,25,31H,1,4-6,9-15H2,2-3H3;7,9,15,19-20,23,34H,1,4-6,8,10-14H2,2-3H3;4,8,13,15,19-20,22,33H,1,3,5-7,9-12,14H2,2H3;6,8,16,22,33H,1,4-5,7,9-15H2,2-3H3;5,7,15,21,32H,1,4,6,8-14H2,2-3H3;3-4,14-15,19,30H,2,5-13H2,1H3/t19?,20?,25-,28?;;;;;/m0...../s1
InChIKeyKDBBBESEVSONCB-LUVDEPCWSA-N
MW2784.49 g/mol
LogP15.34
Rot. Bonds29

About 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one

8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one (PubChem CID 159099148) has the molecular formula C150H191N37O15S and a molecular weight of 2784.49 g/mol. Its IUPAC name is 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one
PubChem CID159099148
Molecular FormulaC150H191N37O15S
Molecular Weight2784.49 g/mol
Exact Mass2782.50
IUPAC Name8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one
SMILESC=C1CCC(N2CCC3(CC4CCC(C3)N4CC(O)c3ccc(-n4cnnn4)nc3)C2=O)=C1C.C=C1CCC(N2CCC3(CC4CCC(C3)N4CC(O)c3ccc(-n4cnnn4)nc3C)C2=O)=C1C.C=C1CCC(N2CCC3(CC4CCC(C3)N4C[C@H](O)c3ccc4c(c3C)COC4=O)C2=O)=C1C.C=C1CCC(N2CCC3(CCCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)=C1C.C=C1CCC(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)=C1C.C=S1(=O)C=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)CC1
InChIInChI=1S/C28H34N2O4.C26H33N7O2.C25H31N7O2.C25H33N7O2.C24H31N7O2.C22H29N7O3S/c1-16-4-9-24(17(16)2)29-11-10-28(27(29)33)12-19-5-6-20(13-28)30(19)14-25(31)21-7-8-22-23(18(21)3)15-34-26(22)32;1-16-4-8-22(17(16)2)31-11-10-26(25(31)35)12-19-5-6-20(13-26)32(19)14-23(34)21-7-9-24(28-18(21)3)33-15-27-29-30-33;1-16-3-7-21(17(16)2)30-10-9-25(24(30)34)11-19-5-6-20(12-25)31(19)14-22(33)18-4-8-23(26-13-18)32-15-27-28-29-32;1-17-5-7-21(18(17)2)31-14-11-25(24(31)34)9-4-12-30(13-10-25)15-22(33)20-6-8-23(27-19(20)3)32-16-26-28-29-32;1-16-4-6-20(17(16)2)30-13-10-24(23(30)33)8-11-29(12-9-24)14-21(32)19-5-7-22(26-18(19)3)31-15-25-27-28-31;1-16-18(3-4-20(24-16)29-15-23-25-26-29)19(30)13-27-9-6-22(7-10-27)8-11-28(21(22)31)17-5-12-33(2,32)14-17/h7-8,19-20,25,31H,1,4-6,9-15H2,2-3H3;7,9,15,19-20,23,34H,1,4-6,8,10-14H2,2-3H3;4,8,13,15,19-20,22,33H,1,3,5-7,9-12,14H2,2H3;6,8,16,22,33H,1,4-5,7,9-15H2,2-3H3;5,7,15,21,32H,1,4,6,8-14H2,2-3H3;3-4,14-15,19,30H,2,5-13H2,1H3/t19?,20?,25-,28?;;;;;/m0...../s1
InChIKeyKDBBBESEVSONCB-LUVDEPCWSA-N
XLogP15.34
TPSA588.50 Ų
H-Bond Donors6
H-Bond Acceptors46
Rotatable Bonds29
Heavy Atoms203
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002784.49
LogP ≤ 515.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one?
The IUPAC name of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one (CID 159099148) is 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one.
What is the SMILES notation for 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one?
The canonical SMILES for 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one is C=C1CCC(N2CCC3(CC4CCC(C3)N4CC(O)c3ccc(-n4cnnn4)nc3)C2=O)=C1C.C=C1CCC(N2CCC3(CC4CCC(C3)N4CC(O)c3ccc(-n4cnnn4)nc3C)C2=O)=C1C.C=C1CCC(N2CCC3(CC4CCC(C3)N4C[C@H](O)c3ccc4c(c3C)COC4=O)C2=O)=C1C.C=C1CCC(N2CCC3(CCCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)=C1C.C=C1CCC(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)=C1C.C=S1(=O)C=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)CC1.
What is the InChIKey of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one?
The InChIKey is KDBBBESEVSONCB-LUVDEPCWSA-N. The full InChI is InChI=1S/C28H34N2O4.C26H33N7O2.C25H31N7O2.C25H33N7O2.C24H31N7O2.C22H29N7O3S/c1-16-4-9-24(17(16)2)29-11-10-28(27(29)33)12-19-5-6-20(13-28)30(19)14-25(31)21-7-8-22-23(18(21)3)15-34-26(22)32;1-16-4-8-22(17(16)2)31-11-10-26(25(31)35)12-19-5-6-20(13-26)32(19)14-23(34)21-7-9-24(28-18(21)3)33-15-27-29-30-33;1-16-3-7-21(17(16)2)30-10-9-25(24(30)34)11-19-5-6-20(12-25)31(19)14-22(33)18-4-8-23(26-13-18)32-15-27-28-29-32;1-17-5-7-21(18(17)2)31-14-11-25(24(31)34)9-4-12-30(13-10-25)15-22(33)20-6-8-23(27-19(20)3)32-16-26-28-29-32;1-16-4-6-20(17(16)2)30-13-10-24(23(30)33)8-11-29(12-9-24)14-21(32)19-5-7-22(26-18(19)3)31-15-25-27-28-31;1-16-18(3-4-20(24-16)29-15-23-25-26-29)19(30)13-27-9-6-22(7-10-27)8-11-28(21(22)31)17-5-12-33(2,32)14-17/h7-8,19-20,25,31H,1,4-6,9-15H2,2-3H3;7,9,15,19-20,23,34H,1,4-6,8,10-14H2,2-3H3;4,8,13,15,19-20,22,33H,1,3,5-7,9-12,14H2,2H3;6,8,16,22,33H,1,4-5,7,9-15H2,2-3H3;5,7,15,21,32H,1,4,6,8-14H2,2-3H3;3-4,14-15,19,30H,2,5-13H2,1H3/t19?,20?,25-,28?;;;;;/m0...../s1.
What are the key properties of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one?
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one has a molecular weight of 2784.49 g/mol, XLogP of 15.34, 29 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1'-(2-methyl-3-methylidenecyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 159099148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).