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

C136H166N32O23S — CID 160904876

IUPAC2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)CC2=O)CCC1=O.CC1=C(N2CC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)CC2=O)CCC1=O.CC1=C(N2CCC3(CCN(CC(O)c4ncc(-n5cnnn5)cc4C)CC3)C2=O)CCC1=O.CC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)CCC1=O.O=C1C=C(N2CCC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)CC1.O=C1N(C2=CS(=O)(=O)CC2)CCC12CCN(C[C@H](O)c1ccc(-n3cnnn3)nc1)CC2
InChIInChI=1S/2C25H30N2O5.C23H29N7O3.C22H27N7O3.C21H25N7O3.C20H25N7O4S/c1-15-17(3-4-18-19(15)14-32-23(18)30)22(29)13-26-10-7-25(8-11-26)9-12-27(24(25)31)20-5-6-21(28)16(20)2;1-15-17(3-4-18-19(15)13-32-24(18)31)22(29)12-26-9-7-25(8-10-26)11-23(30)27(14-25)20-5-6-21(28)16(20)2;1-15-11-17(30-14-25-26-27-30)12-24-21(15)20(32)13-28-8-5-23(6-9-28)7-10-29(22(23)33)18-3-4-19(31)16(18)2;1-15-17(3-4-18(15)30)28-13-22(10-21(28)32)6-8-27(9-7-22)12-19(31)16-2-5-20(23-11-16)29-14-24-25-26-29;29-17-3-2-16(11-17)27-10-7-21(20(27)31)5-8-26(9-6-21)13-18(30)15-1-4-19(22-12-15)28-14-23-24-25-28;28-17(15-1-2-18(21-11-15)27-14-22-23-24-27)12-25-7-4-20(5-8-25)6-9-26(19(20)29)16-3-10-32(30,31)13-16/h2*3-4,22,29H,5-14H2,1-2H3;11-12,14,20,32H,3-10,13H2,1-2H3;2,5,11,14,19,31H,3-4,6-10,12-13H2,1H3;1,4,11-12,14,18,30H,2-3,5-10,13H2;1-2,11,13-14,17,28H,3-10,12H2/t2*22-;;19-;18-;17-/m00.000/s1
InChIKeySPZSZTRFAHGQFL-CTRKJDQNSA-N
MW2649.09 g/mol
LogP8.41
Rot. Bonds28

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

2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 160904876) has the molecular formula C136H166N32O23S and a molecular weight of 2649.09 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID160904876
Molecular FormulaC136H166N32O23S
Molecular Weight2649.09 g/mol
Exact Mass2647.25
IUPAC Name2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)CC2=O)CCC1=O.CC1=C(N2CC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)CC2=O)CCC1=O.CC1=C(N2CCC3(CCN(CC(O)c4ncc(-n5cnnn5)cc4C)CC3)C2=O)CCC1=O.CC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)CCC1=O.O=C1C=C(N2CCC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)CC1.O=C1N(C2=CS(=O)(=O)CC2)CCC12CCN(C[C@H](O)c1ccc(-n3cnnn3)nc1)CC2
InChIInChI=1S/2C25H30N2O5.C23H29N7O3.C22H27N7O3.C21H25N7O3.C20H25N7O4S/c1-15-17(3-4-18-19(15)14-32-23(18)30)22(29)13-26-10-7-25(8-11-26)9-12-27(24(25)31)20-5-6-21(28)16(20)2;1-15-17(3-4-18-19(15)13-32-24(18)31)22(29)12-26-9-7-25(8-10-26)11-23(30)27(14-25)20-5-6-21(28)16(20)2;1-15-11-17(30-14-25-26-27-30)12-24-21(15)20(32)13-28-8-5-23(6-9-28)7-10-29(22(23)33)18-3-4-19(31)16(18)2;1-15-17(3-4-18(15)30)28-13-22(10-21(28)32)6-8-27(9-7-22)12-19(31)16-2-5-20(23-11-16)29-14-24-25-26-29;29-17-3-2-16(11-17)27-10-7-21(20(27)31)5-8-26(9-6-21)13-18(30)15-1-4-19(22-12-15)28-14-23-24-25-28;28-17(15-1-2-18(21-11-15)27-14-22-23-24-27)12-25-7-4-20(5-8-25)6-9-26(19(20)29)16-3-10-32(30,31)13-16/h2*3-4,22,29H,5-14H2,1-2H3;11-12,14,20,32H,3-10,13H2,1-2H3;2,5,11,14,19,31H,3-4,6-10,12-13H2,1H3;1,4,11-12,14,18,30H,2-3,5-10,13H2;1-2,11,13-14,17,28H,3-10,12H2/t2*22-;;19-;18-;17-/m00.000/s1
InChIKeySPZSZTRFAHGQFL-CTRKJDQNSA-N
XLogP8.41
TPSA660.73 Ų
H-Bond Donors6
H-Bond Acceptors49
Rotatable Bonds28
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002649.09
LogP ≤ 58.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1049

Analyze 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-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-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 160904876) is 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is CC1=C(N2CC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)CC2=O)CCC1=O.CC1=C(N2CC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)CC2=O)CCC1=O.CC1=C(N2CCC3(CCN(CC(O)c4ncc(-n5cnnn5)cc4C)CC3)C2=O)CCC1=O.CC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)CCC1=O.O=C1C=C(N2CCC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)CC1.O=C1N(C2=CS(=O)(=O)CC2)CCC12CCN(C[C@H](O)c1ccc(-n3cnnn3)nc1)CC2.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is SPZSZTRFAHGQFL-CTRKJDQNSA-N. The full InChI is InChI=1S/2C25H30N2O5.C23H29N7O3.C22H27N7O3.C21H25N7O3.C20H25N7O4S/c1-15-17(3-4-18-19(15)14-32-23(18)30)22(29)13-26-10-7-25(8-11-26)9-12-27(24(25)31)20-5-6-21(28)16(20)2;1-15-17(3-4-18-19(15)13-32-24(18)31)22(29)12-26-9-7-25(8-10-26)11-23(30)27(14-25)20-5-6-21(28)16(20)2;1-15-11-17(30-14-25-26-27-30)12-24-21(15)20(32)13-28-8-5-23(6-9-28)7-10-29(22(23)33)18-3-4-19(31)16(18)2;1-15-17(3-4-18(15)30)28-13-22(10-21(28)32)6-8-27(9-7-22)12-19(31)16-2-5-20(23-11-16)29-14-24-25-26-29;29-17-3-2-16(11-17)27-10-7-21(20(27)31)5-8-26(9-6-21)13-18(30)15-1-4-19(22-12-15)28-14-23-24-25-28;28-17(15-1-2-18(21-11-15)27-14-22-23-24-27)12-25-7-4-20(5-8-25)6-9-26(19(20)29)16-3-10-32(30,31)13-16/h2*3-4,22,29H,5-14H2,1-2H3;11-12,14,20,32H,3-10,13H2,1-2H3;2,5,11,14,19,31H,3-4,6-10,12-13H2,1H3;1,4,11-12,14,18,30H,2-3,5-10,13H2;1-2,11,13-14,17,28H,3-10,12H2/t2*22-;;19-;18-;17-/m00.000/s1.
What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 2649.09 g/mol, XLogP of 8.41, 28 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-8-[(2R)-2-hydroxy-2-[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]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 160904876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).