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

C142H178N32O17S — CID 157394425

IUPAC8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESC=C1C=C(N2CCC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)CC1.C=C1CCC(N2CC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)CC2=O)=C1C.C=C1CCC(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)=C1C.C=C1CCC(N2CCC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)=C1C.C=C1CCC(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)=C1C.C=S1(=O)C=C(N2CCC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)CC1
InChIInChI=1S/2C26H32N2O4.C24H31N7O2.C23H29N7O2.C22H27N7O2.C21H27N7O3S/c1-16-4-7-22(17(16)2)28-13-10-26(25(28)31)8-11-27(12-9-26)14-23(29)19-5-6-20-21(18(19)3)15-32-24(20)30;1-16-4-7-22(17(16)2)28-15-26(12-24(28)30)8-10-27(11-9-26)13-23(29)19-5-6-20-21(18(19)3)14-32-25(20)31;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;1-16-3-5-19(17(16)2)29-12-9-23(22(29)32)7-10-28(11-8-23)14-20(31)18-4-6-21(24-13-18)30-15-25-26-27-30;1-16-2-4-18(12-16)28-11-8-22(21(28)31)6-9-27(10-7-22)14-19(30)17-3-5-20(23-13-17)29-15-24-25-26-29;1-32(31)11-4-17(14-32)27-10-7-21(20(27)30)5-8-26(9-6-21)13-18(29)16-2-3-19(22-12-16)28-15-23-24-25-28/h2*5-6,23,29H,1,4,7-15H2,2-3H3;5,7,15,21,32H,1,4,6,8-14H2,2-3H3;4,6,13,15,20,31H,1,3,5,7-12,14H2,2H3;3,5,12-13,15,19,30H,1-2,4,6-11,14H2;2-3,12,14-15,18,29H,1,4-11,13H2/t2*23-;;20-;19-;18-,32?/m00.000/s1
InChIKeyBMJZCBBPFRCOKL-YFHHOGFFSA-N
MW2637.26 g/mol
LogP13.65
Rot. Bonds28

About 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 157394425) has the molecular formula C142H178N32O17S and a molecular weight of 2637.26 g/mol. Its IUPAC name is 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID157394425
Molecular FormulaC142H178N32O17S
Molecular Weight2637.26 g/mol
Exact Mass2635.38
IUPAC Name8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESC=C1C=C(N2CCC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)CC1.C=C1CCC(N2CC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)CC2=O)=C1C.C=C1CCC(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)=C1C.C=C1CCC(N2CCC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)=C1C.C=C1CCC(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)=C1C.C=S1(=O)C=C(N2CCC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)CC1
InChIInChI=1S/2C26H32N2O4.C24H31N7O2.C23H29N7O2.C22H27N7O2.C21H27N7O3S/c1-16-4-7-22(17(16)2)28-13-10-26(25(28)31)8-11-27(12-9-26)14-23(29)19-5-6-20-21(18(19)3)15-32-24(20)30;1-16-4-7-22(17(16)2)28-15-26(12-24(28)30)8-10-27(11-9-26)13-23(29)19-5-6-20-21(18(19)3)14-32-25(20)31;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;1-16-3-5-19(17(16)2)29-12-9-23(22(29)32)7-10-28(11-8-23)14-20(31)18-4-6-21(24-13-18)30-15-25-26-27-30;1-16-2-4-18(12-16)28-11-8-22(21(28)31)6-9-27(10-7-22)14-19(30)17-3-5-20(23-13-17)29-15-24-25-26-29;1-32(31)11-4-17(14-32)27-10-7-21(20(27)30)5-8-26(9-6-21)13-18(29)16-2-3-19(22-12-16)28-15-23-24-25-28/h2*5-6,23,29H,1,4,7-15H2,2-3H3;5,7,15,21,32H,1,4,6,8-14H2,2-3H3;4,6,13,15,20,31H,1,3,5,7-12,14H2,2H3;3,5,12-13,15,19,30H,1-2,4,6-11,14H2;2-3,12,14-15,18,29H,1,4-11,13H2/t2*23-;;20-;19-;18-,32?/m00.000/s1
InChIKeyBMJZCBBPFRCOKL-YFHHOGFFSA-N
XLogP13.65
TPSA558.31 Ų
H-Bond Donors6
H-Bond Acceptors43
Rotatable Bonds28
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002637.26
LogP ≤ 513.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1043

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]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-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 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 157394425) is 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is C=C1C=C(N2CCC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)CC1.C=C1CCC(N2CC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)CC2=O)=C1C.C=C1CCC(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)=C1C.C=C1CCC(N2CCC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)=C1C.C=C1CCC(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)=C1C.C=S1(=O)C=C(N2CCC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)CC1.
What is the InChIKey of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is BMJZCBBPFRCOKL-YFHHOGFFSA-N. The full InChI is InChI=1S/2C26H32N2O4.C24H31N7O2.C23H29N7O2.C22H27N7O2.C21H27N7O3S/c1-16-4-7-22(17(16)2)28-13-10-26(25(28)31)8-11-27(12-9-26)14-23(29)19-5-6-20-21(18(19)3)15-32-24(20)30;1-16-4-7-22(17(16)2)28-15-26(12-24(28)30)8-10-27(11-9-26)13-23(29)19-5-6-20-21(18(19)3)14-32-25(20)31;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;1-16-3-5-19(17(16)2)29-12-9-23(22(29)32)7-10-28(11-8-23)14-20(31)18-4-6-21(24-13-18)30-15-25-26-27-30;1-16-2-4-18(12-16)28-11-8-22(21(28)31)6-9-27(10-7-22)14-19(30)17-3-5-20(23-13-17)29-15-24-25-26-29;1-32(31)11-4-17(14-32)27-10-7-21(20(27)30)5-8-26(9-6-21)13-18(29)16-2-3-19(22-12-16)28-15-23-24-25-28/h2*5-6,23,29H,1,4,7-15H2,2-3H3;5,7,15,21,32H,1,4,6,8-14H2,2-3H3;4,6,13,15,20,31H,1,3,5,7-12,14H2,2H3;3,5,12-13,15,19,30H,1-2,4,6-11,14H2;2-3,12,14-15,18,29H,1,4-11,13H2/t2*23-;;20-;19-;18-,32?/m00.000/s1.
What are the key properties of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 2637.26 g/mol, XLogP of 13.65, 28 rotatable bonds, 6 hydrogen bond donors, and 43 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]-2-(2-methyl-3-methylidenecyclopenten-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-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-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;8-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[(2R)-2-hydroxy-2-[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-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 157394425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).