8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one

C₁₄₉H₁₈₇F₂N₂₉O₁₇S — CID 157093925

About 8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one

8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 157093925) has the molecular formula C₁₄₉H₁₈₇F₂N₂₉O₁₇S and a molecular weight of 2726.38 g/mol. Its IUPAC name is 8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

• Compound Name: 8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one
• PubChem CID: 157093925
• Molecular Formula: C₁₄₉H₁₈₇F₂N₂₉O₁₇S
• Molecular Weight: 2726.38 g/mol
• Exact Mass: 2724.43
• IUPAC Name: 8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one
• SMILES: C=C1C=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)cc4F)CC3)C2=O)CC1.C=C1C=C(N2CCCC3(CCN(CC(O)c4ccc(-n5cnnn5)cc4C)CC3)C2=O)CC1.C=C1CCC(N2CCC3(CCCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)=C1C.C=C1CCC(N2CCC3(CCCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)=C1C.C=C1CCC(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)cc4F)CC3)C2=O)=C1C.C=S1(=O)C=C(N2CCCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)CC1
• InChI: InChI=1S/2C27H34N2O4.C25H32N6O2.C24H29FN6O2.C23H27FN6O2.C23H31N7O3S/c2*1-17-5-8-23(18(17)2)29-14-11-27(26(29)32)9-4-12-28(13-10-27)15-24(30)20-6-7-21-22(19(20)3)16-33-25(21)31;1-18-4-5-20(14-18)30-11-3-8-25(24(30)33)9-12-29(13-10-25)16-23(32)22-7-6-21(15-19(22)2)31-17-26-27-28-31;1-16-3-6-21(17(16)2)30-12-9-24(23(30)33)7-10-29(11-8-24)14-22(32)19-5-4-18(13-20(19)25)31-15-26-27-28-31;1-16-2-3-17(12-16)29-11-8-23(22(29)32)6-9-28(10-7-23)14-21(31)19-5-4-18(13-20(19)24)30-15-25-26-27-30;1-17-19(4-5-21(25-17)30-16-24-26-27-30)20(31)14-28-11-8-23(9-12-28)7-3-10-29(22(23)32)18-6-13-34(2,33)15-18/h2*6-7,24,30H,1,4-5,8-16H2,2-3H3;6-7,14-15,17,23,32H,1,3-5,8-13,16H2,2H3;4-5,13,15,22,32H,1,3,6-12,14H2,2H3;4-5,12-13,15,21,31H,1-3,6-11,14H2;4-5,15-16,20,31H,2-3,6-14H2,1H3/t2*24-,27?;;;;/m00..../s1
• InChIKey: AEZFJCDCOQAHDR-FSEVOLLMSA-N
• XLogP: 17.22
• TPSA: 519.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 28
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2726.38
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one?

The IUPAC name of 8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one (CID 157093925) is 8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one.

What is the SMILES notation for 8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one?

The canonical SMILES for 8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one is C=C1C=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)cc4F)CC3)C2=O)CC1.C=C1C=C(N2CCCC3(CCN(CC(O)c4ccc(-n5cnnn5)cc4C)CC3)C2=O)CC1.C=C1CCC(N2CCC3(CCCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)=C1C.C=C1CCC(N2CCC3(CCCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)=C1C.C=C1CCC(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)cc4F)CC3)C2=O)=C1C.C=S1(=O)C=C(N2CCCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)CC1.

What is the InChIKey of 8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one?

The InChIKey is AEZFJCDCOQAHDR-FSEVOLLMSA-N. The full InChI is InChI=1S/2C27H34N2O4.C25H32N6O2.C24H29FN6O2.C23H27FN6O2.C23H31N7O3S/c2*1-17-5-8-23(18(17)2)29-14-11-27(26(29)32)9-4-12-28(13-10-27)15-24(30)20-6-7-21-22(19(20)3)16-33-25(21)31;1-18-4-5-20(14-18)30-11-3-8-25(24(30)33)9-12-29(13-10-25)16-23(32)22-7-6-21(15-19(22)2)31-17-26-27-28-31;1-16-3-6-21(17(16)2)30-12-9-24(23(30)33)7-10-29(11-8-24)14-22(32)19-5-4-18(13-20(19)25)31-15-26-27-28-31;1-16-2-3-17(12-16)29-11-8-23(22(29)32)6-9-28(10-7-23)14-21(31)19-5-4-18(13-20(19)24)30-15-25-26-27-30;1-17-19(4-5-21(25-17)30-16-24-26-27-30)20(31)14-28-11-8-23(9-12-28)7-3-10-29(22(23)32)18-6-13-34(2,33)15-18/h2*6-7,24,30H,1,4-5,8-16H2,2-3H3;6-7,14-15,17,23,32H,1,3-5,8-13,16H2,2H3;4-5,13,15,22,32H,1,3,6-12,14H2,2H3;4-5,12-13,15,21,31H,1-3,6-11,14H2;4-5,15-16,20,31H,2-3,6-14H2,1H3/t2*24-,27?;;;;/m00..../s1.

What are the key properties of 8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one?

8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 2726.38 g/mol, XLogP of 17.22, 28 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;bis(9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methylidene-1-oxo-2,3-dihydrothiophen-4-yl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 157093925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157093925 — identifiers, structure, computed properties (public domain)

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