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

C144H179N37O21S — CID 158644852

IUPAC2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one
SMILESCC1=C(N2CCC3(CC4CCC(C3)N4CC(O)c3ccc(-n4cnnn4)cn3)C2=O)CCC1=O.CC1=C(N2CCC3(CC4CCC(C3)N4CC(O)c3ccc(-n4cnnn4)nc3C)C2=O)CCC1=O.CC1=C(N2CCC3(CC4CCC(C3)N4C[C@H](O)c3ccc4c(c3C)COC4=O)C2=O)CCC1=O.CC1=C(N2CCC3(CCCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)CCC1=O.CC1=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)CCC1=O.Cc1nc(-n2cnnn2)ccc1C(O)CN1CCC2(CC1)CCN(C1=CS(=O)(=O)CC1)C2=O
InChIInChI=1S/C27H32N2O5.C25H31N7O3.C24H29N7O3.C24H31N7O3.C23H29N7O3.C21H27N7O4S/c1-15-19(5-6-20-21(15)14-34-25(20)32)24(31)13-29-17-3-4-18(29)12-27(11-17)9-10-28(26(27)33)22-7-8-23(30)16(22)2;1-15-20(6-7-21(15)33)30-10-9-25(24(30)35)11-17-3-4-18(12-25)31(17)13-22(34)19-5-8-23(27-16(19)2)32-14-26-28-29-32;1-15-20(6-7-21(15)32)29-9-8-24(23(29)34)10-16-2-3-17(11-24)30(16)13-22(33)19-5-4-18(12-25-19)31-14-26-27-28-31;1-16-19(5-6-20(16)32)30-13-10-24(23(30)34)8-3-11-29(12-9-24)14-21(33)18-4-7-22(26-17(18)2)31-15-25-27-28-31;1-15-18(4-5-19(15)31)29-12-9-23(22(29)33)7-10-28(11-8-23)13-20(32)17-3-6-21(25-16(17)2)30-14-24-26-27-30;1-15-17(2-3-19(23-15)28-14-22-24-25-28)18(29)12-26-8-5-21(6-9-26)7-10-27(20(21)30)16-4-11-33(31,32)13-16/h5-6,17-18,24,31H,3-4,7-14H2,1-2H3;5,8,14,17-18,22,34H,3-4,6-7,9-13H2,1-2H3;4-5,12,14,16-17,22,33H,2-3,6-11,13H2,1H3;4,7,15,21,33H,3,5-6,8-14H2,1-2H3;3,6,14,20,32H,4-5,7-13H2,1-2H3;2-3,13-14,18,29H,4-12H2,1H3/t17?,18?,24-,27?;;;;;/m0...../s1
InChIKeyIAVKELHPBINDKY-VPVWJMFBSA-N
MW2796.32 g/mol
LogP10.10
Rot. Bonds29

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

2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one (PubChem CID 158644852) has the molecular formula C144H179N37O21S and a molecular weight of 2796.32 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one
PubChem CID158644852
Molecular FormulaC144H179N37O21S
Molecular Weight2796.32 g/mol
Exact Mass2794.38
IUPAC Name2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one
SMILESCC1=C(N2CCC3(CC4CCC(C3)N4CC(O)c3ccc(-n4cnnn4)cn3)C2=O)CCC1=O.CC1=C(N2CCC3(CC4CCC(C3)N4CC(O)c3ccc(-n4cnnn4)nc3C)C2=O)CCC1=O.CC1=C(N2CCC3(CC4CCC(C3)N4C[C@H](O)c3ccc4c(c3C)COC4=O)C2=O)CCC1=O.CC1=C(N2CCC3(CCCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)CCC1=O.CC1=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)CCC1=O.Cc1nc(-n2cnnn2)ccc1C(O)CN1CCC2(CC1)CCN(C1=CS(=O)(=O)CC1)C2=O
InChIInChI=1S/C27H32N2O5.C25H31N7O3.C24H29N7O3.C24H31N7O3.C23H29N7O3.C21H27N7O4S/c1-15-19(5-6-20-21(15)14-34-25(20)32)24(31)13-29-17-3-4-18(29)12-27(11-17)9-10-28(26(27)33)22-7-8-23(30)16(22)2;1-15-20(6-7-21(15)33)30-10-9-25(24(30)35)11-17-3-4-18(12-25)31(17)13-22(34)19-5-8-23(27-16(19)2)32-14-26-28-29-32;1-15-20(6-7-21(15)32)29-9-8-24(23(29)34)10-16-2-3-17(11-24)30(16)13-22(33)19-5-4-18(12-25-19)31-14-26-27-28-31;1-16-19(5-6-20(16)32)30-13-10-24(23(30)34)8-3-11-29(12-9-24)14-21(33)18-4-7-22(26-17(18)2)31-15-25-27-28-31;1-15-18(4-5-19(15)31)29-12-9-23(22(29)33)7-10-28(11-8-23)13-20(32)17-3-6-21(25-16(17)2)30-14-24-26-27-30;1-15-17(2-3-19(23-15)28-14-22-24-25-28)18(29)12-26-8-5-21(6-9-26)7-10-27(20(21)30)16-4-11-33(31,32)13-16/h5-6,17-18,24,31H,3-4,7-14H2,1-2H3;5,8,14,17-18,22,34H,3-4,6-7,9-13H2,1-2H3;4-5,12,14,16-17,22,33H,2-3,6-11,13H2,1H3;4,7,15,21,33H,3,5-6,8-14H2,1-2H3;3,6,14,20,32H,4-5,7-13H2,1-2H3;2-3,13-14,18,29H,4-12H2,1H3/t17?,18?,24-,27?;;;;;/m0...../s1
InChIKeyIAVKELHPBINDKY-VPVWJMFBSA-N
XLogP10.10
TPSA690.92 Ų
H-Bond Donors6
H-Bond Acceptors52
Rotatable Bonds29
Heavy Atoms203
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002796.32
LogP ≤ 510.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1052

Analyze 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-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 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one (CID 158644852) is 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one is CC1=C(N2CCC3(CC4CCC(C3)N4CC(O)c3ccc(-n4cnnn4)cn3)C2=O)CCC1=O.CC1=C(N2CCC3(CC4CCC(C3)N4CC(O)c3ccc(-n4cnnn4)nc3C)C2=O)CCC1=O.CC1=C(N2CCC3(CC4CCC(C3)N4C[C@H](O)c3ccc4c(c3C)COC4=O)C2=O)CCC1=O.CC1=C(N2CCC3(CCCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)CCC1=O.CC1=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)CCC1=O.Cc1nc(-n2cnnn2)ccc1C(O)CN1CCC2(CC1)CCN(C1=CS(=O)(=O)CC1)C2=O.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one?
The InChIKey is IAVKELHPBINDKY-VPVWJMFBSA-N. The full InChI is InChI=1S/C27H32N2O5.C25H31N7O3.C24H29N7O3.C24H31N7O3.C23H29N7O3.C21H27N7O4S/c1-15-19(5-6-20-21(15)14-34-25(20)32)24(31)13-29-17-3-4-18(29)12-27(11-17)9-10-28(26(27)33)22-7-8-23(30)16(22)2;1-15-20(6-7-21(15)33)30-10-9-25(24(30)35)11-17-3-4-18(12-25)31(17)13-22(34)19-5-8-23(27-16(19)2)32-14-26-28-29-32;1-15-20(6-7-21(15)32)29-9-8-24(23(29)34)10-16-2-3-17(11-24)30(16)13-22(33)19-5-4-18(12-25-19)31-14-26-27-28-31;1-16-19(5-6-20(16)32)30-13-10-24(23(30)34)8-3-11-29(12-9-24)14-21(33)18-4-7-22(26-17(18)2)31-15-25-27-28-31;1-15-18(4-5-19(15)31)29-12-9-23(22(29)33)7-10-28(11-8-23)13-20(32)17-3-6-21(25-16(17)2)30-14-24-26-27-30;1-15-17(2-3-19(23-15)28-14-22-24-25-28)18(29)12-26-8-5-21(6-9-26)7-10-27(20(21)30)16-4-11-33(31,32)13-16/h5-6,17-18,24,31H,3-4,7-14H2,1-2H3;5,8,14,17-18,22,34H,3-4,6-7,9-13H2,1-2H3;4-5,12,14,16-17,22,33H,2-3,6-11,13H2,1H3;4,7,15,21,33H,3,5-6,8-14H2,1-2H3;3,6,14,20,32H,4-5,7-13H2,1-2H3;2-3,13-14,18,29H,4-12H2,1H3/t17?,18?,24-,27?;;;;;/m0...../s1.
What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one?
2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one has a molecular weight of 2796.32 g/mol, XLogP of 10.10, 29 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(2-methyl-3-oxocyclopenten-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-(2-methyl-3-oxocyclopenten-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-oxocyclopenten-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-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one;8-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-1'-(2-methyl-3-oxocyclopenten-1-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 158644852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).