8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one

C142H180N26O24 — CID 159685963

IUPAC8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one
SMILESCC1=C(N2CCOC3(CCN(CC(O)c4ccc(-n5cnnn5)cc4C)CC3)C2)CCC1=O.CC1=C(N2CCOC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2)CCC1=O.CC1=C(N2CCOC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2)CCC1=O.CC1=C(N2CCOC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2)CCC1=O.Cc1c([C@@H](O)CN2CCC3(CC2)CC(=O)N(C2=CC(=O)CC2)C3)ccc2c1COC2=O.Cc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=CC(=O)CC2)C3=O)ccc2c1COC2=O
InChIInChI=1S/C25H32N2O5.C24H32N6O3.2C24H28N2O5.C23H31N7O3.C22H29N7O3/c1-16-18(3-4-19-20(16)14-31-24(19)30)23(29)13-26-9-7-25(8-10-26)15-27(11-12-32-25)21-5-6-22(28)17(21)2;1-17-13-19(30-16-25-26-27-30)3-4-20(17)23(32)14-28-9-7-24(8-10-28)15-29(11-12-33-24)21-5-6-22(31)18(21)2;1-15-18(4-5-19-20(15)14-31-22(19)29)21(28)13-25-9-6-24(7-10-25)8-11-26(23(24)30)16-2-3-17(27)12-16;1-15-18(4-5-19-20(15)13-31-23(19)30)21(28)12-25-8-6-24(7-9-25)11-22(29)26(14-24)16-2-3-17(27)10-16;1-16-19(4-5-20(16)31)29-11-12-33-23(14-29)7-9-28(10-8-23)13-21(32)18-3-6-22(25-17(18)2)30-15-24-26-27-30;1-16-18(3-4-19(16)30)28-10-11-32-22(14-28)6-8-27(9-7-22)13-20(31)17-2-5-21(23-12-17)29-15-24-25-26-29/h3-4,23,29H,5-15H2,1-2H3;3-4,13,16,23,32H,5-12,14-15H2,1-2H3;4-5,12,21,28H,2-3,6-11,13-14H2,1H3;4-5,10,21,28H,2-3,6-9,11-14H2,1H3;3,6,15,21,32H,4-5,7-14H2,1-2H3;2,5,12,15,20,31H,3-4,6-11,13-14H2,1H3/t23-;;2*21-;;20-/m0.00.0/s1
InChIKeyMVUMEOZIGRCRHK-KNYDLAFESA-N
MW2635.16 g/mol
LogP10.93
Rot. Bonds27

About 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one

8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one (PubChem CID 159685963) has the molecular formula C142H180N26O24 and a molecular weight of 2635.16 g/mol. Its IUPAC name is 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one
PubChem CID159685963
Molecular FormulaC142H180N26O24
Molecular Weight2635.16 g/mol
Exact Mass2633.37
IUPAC Name8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one
SMILESCC1=C(N2CCOC3(CCN(CC(O)c4ccc(-n5cnnn5)cc4C)CC3)C2)CCC1=O.CC1=C(N2CCOC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2)CCC1=O.CC1=C(N2CCOC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2)CCC1=O.CC1=C(N2CCOC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2)CCC1=O.Cc1c([C@@H](O)CN2CCC3(CC2)CC(=O)N(C2=CC(=O)CC2)C3)ccc2c1COC2=O.Cc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=CC(=O)CC2)C3=O)ccc2c1COC2=O
InChIInChI=1S/C25H32N2O5.C24H32N6O3.2C24H28N2O5.C23H31N7O3.C22H29N7O3/c1-16-18(3-4-19-20(16)14-31-24(19)30)23(29)13-26-9-7-25(8-10-26)15-27(11-12-32-25)21-5-6-22(28)17(21)2;1-17-13-19(30-16-25-26-27-30)3-4-20(17)23(32)14-28-9-7-24(8-10-28)15-29(11-12-33-24)21-5-6-22(31)18(21)2;1-15-18(4-5-19-20(15)14-31-22(19)29)21(28)13-25-9-6-24(7-10-25)8-11-26(23(24)30)16-2-3-17(27)12-16;1-15-18(4-5-19-20(15)13-31-23(19)30)21(28)12-25-8-6-24(7-9-25)11-22(29)26(14-24)16-2-3-17(27)10-16;1-16-19(4-5-20(16)31)29-11-12-33-23(14-29)7-9-28(10-8-23)13-21(32)18-3-6-22(25-17(18)2)30-15-24-26-27-30;1-16-18(3-4-19(16)30)28-10-11-32-22(14-28)6-8-27(9-7-22)13-20(31)17-2-5-21(23-12-17)29-15-24-25-26-29/h3-4,23,29H,5-15H2,1-2H3;3-4,13,16,23,32H,5-12,14-15H2,1-2H3;4-5,12,21,28H,2-3,6-11,13-14H2,1H3;4-5,10,21,28H,2-3,6-9,11-14H2,1H3;3,6,15,21,32H,4-5,7-14H2,1-2H3;2,5,12,15,20,31H,3-4,6-11,13-14H2,1H3/t23-;;2*21-;;20-/m0.00.0/s1
InChIKeyMVUMEOZIGRCRHK-KNYDLAFESA-N
XLogP10.93
TPSA569.22 Ų
H-Bond Donors6
H-Bond Acceptors48
Rotatable Bonds27
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002635.16
LogP ≤ 510.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-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-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one?
The IUPAC name of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one (CID 159685963) is 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one is CC1=C(N2CCOC3(CCN(CC(O)c4ccc(-n5cnnn5)cc4C)CC3)C2)CCC1=O.CC1=C(N2CCOC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2)CCC1=O.CC1=C(N2CCOC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nc4)CC3)C2)CCC1=O.CC1=C(N2CCOC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2)CCC1=O.Cc1c([C@@H](O)CN2CCC3(CC2)CC(=O)N(C2=CC(=O)CC2)C3)ccc2c1COC2=O.Cc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=CC(=O)CC2)C3=O)ccc2c1COC2=O.
What is the InChIKey of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one?
The InChIKey is MVUMEOZIGRCRHK-KNYDLAFESA-N. The full InChI is InChI=1S/C25H32N2O5.C24H32N6O3.2C24H28N2O5.C23H31N7O3.C22H29N7O3/c1-16-18(3-4-19-20(16)14-31-24(19)30)23(29)13-26-9-7-25(8-10-26)15-27(11-12-32-25)21-5-6-22(28)17(21)2;1-17-13-19(30-16-25-26-27-30)3-4-20(17)23(32)14-28-9-7-24(8-10-28)15-29(11-12-33-24)21-5-6-22(31)18(21)2;1-15-18(4-5-19-20(15)14-31-22(19)29)21(28)13-25-9-6-24(7-10-25)8-11-26(23(24)30)16-2-3-17(27)12-16;1-15-18(4-5-19-20(15)13-31-23(19)30)21(28)12-25-8-6-24(7-9-25)11-22(29)26(14-24)16-2-3-17(27)10-16;1-16-19(4-5-20(16)31)29-11-12-33-23(14-29)7-9-28(10-8-23)13-21(32)18-3-6-22(25-17(18)2)30-15-24-26-27-30;1-16-18(3-4-19(16)30)28-10-11-32-22(14-28)6-8-27(9-7-22)13-20(31)17-2-5-21(23-12-17)29-15-24-25-26-29/h3-4,23,29H,5-15H2,1-2H3;3-4,13,16,23,32H,5-12,14-15H2,1-2H3;4-5,12,21,28H,2-3,6-11,13-14H2,1H3;4-5,10,21,28H,2-3,6-9,11-14H2,1H3;3,6,15,21,32H,4-5,7-14H2,1-2H3;2,5,12,15,20,31H,3-4,6-11,13-14H2,1H3/t23-;;2*21-;;20-/m0.00.0/s1.
What are the key properties of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one?
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one has a molecular weight of 2635.16 g/mol, XLogP of 10.93, 27 rotatable bonds, 6 hydrogen bond donors, and 48 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-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one;5-[(1R)-1-hydroxy-2-[4-(2-methyl-3-oxocyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one;3-[9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one;3-[9-[(2R)-2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 159685963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).