2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one

C142H175FN30O23S — CID 159044010

About 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one

2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 159044010) has the molecular formula C142H175FN30O23S and a molecular weight of 2721.21 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

• Compound Name: 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one
• PubChem CID: 159044010
• Molecular Formula: C142H175FN30O23S
• Molecular Weight: 2721.21 g/mol
• Exact Mass: 2719.32
• IUPAC Name: 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one
• SMILES: CC1=C(N2CCC3(CCCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)CCC1=O.CC1=C(N2CCC3(CCCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)CCC1=O.Cc1cc(-n2cnnn2)ccc1C(O)CN1CCC2(CCCN(C3=CC(=O)CC3)C2=O)CC1.Cc1nc(-n2cnnn2)ccc1C(O)CN1CCC2(CCCN(C3=CS(=O)(=O)CC3)C2=O)CC1.O=C1C=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)cc4F)CC3)C2=O)CC1.O=C1C=C(N2CCCC3(CCN(CC(O)c4ccc(-n5cnnn5)cn4)CC3)C2=O)CC1
• InChI: InChI=1S/2C26H32N2O5.C24H30N6O3.C22H25FN6O3.C22H29N7O4S.C22H27N7O3/c2*1-16-18(4-5-19-20(16)15-33-24(19)31)23(30)14-27-11-3-8-26(9-12-27)10-13-28(25(26)32)21-6-7-22(29)17(21)2;1-17-13-19(30-16-25-26-27-30)4-6-21(17)22(32)15-28-11-8-24(9-12-28)7-2-10-29(23(24)33)18-3-5-20(31)14-18;23-19-12-16(29-14-24-25-26-29)2-4-18(19)20(31)13-27-8-5-22(6-9-27)7-10-28(21(22)32)15-1-3-17(30)11-15;1-16-18(3-4-20(24-16)29-15-23-25-26-29)19(30)13-27-10-7-22(8-11-27)6-2-9-28(21(22)31)17-5-12-34(32,33)14-17;30-18-4-2-16(12-18)28-9-1-6-22(21(28)32)7-10-27(11-8-22)14-20(31)19-5-3-17(13-23-19)29-15-24-25-26-29/h2*4-5,23,30H,3,6-15H2,1-2H3;4,6,13-14,16,22,32H,2-3,5,7-12,15H2,1H3;2,4,11-12,14,20,31H,1,3,5-10,13H2;3-4,14-15,19,30H,2,5-13H2,1H3;3,5,12-13,15,20,31H,1-2,4,6-11,14H2/t2*23-,26?;;;;/m00..../s1
• InChIKey: JWKRVFQLNFMXRH-QCHVQRHCSA-N
• XLogP: 11.24
• TPSA: 634.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 28
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2721.21
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?

The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one (CID 159044010) is 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one.

What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?

The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one is CC1=C(N2CCC3(CCCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)CCC1=O.CC1=C(N2CCC3(CCCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)CCC1=O.Cc1cc(-n2cnnn2)ccc1C(O)CN1CCC2(CCCN(C3=CC(=O)CC3)C2=O)CC1.Cc1nc(-n2cnnn2)ccc1C(O)CN1CCC2(CCCN(C3=CS(=O)(=O)CC3)C2=O)CC1.O=C1C=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)cc4F)CC3)C2=O)CC1.O=C1C=C(N2CCCC3(CCN(CC(O)c4ccc(-n5cnnn5)cn4)CC3)C2=O)CC1.

What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?

The InChIKey is JWKRVFQLNFMXRH-QCHVQRHCSA-N. The full InChI is InChI=1S/2C26H32N2O5.C24H30N6O3.C22H25FN6O3.C22H29N7O4S.C22H27N7O3/c2*1-16-18(4-5-19-20(16)15-33-24(19)31)23(30)14-27-11-3-8-26(9-12-27)10-13-28(25(26)32)21-6-7-22(29)17(21)2;1-17-13-19(30-16-25-26-27-30)4-6-21(17)22(32)15-28-11-8-24(9-12-28)7-2-10-29(23(24)33)18-3-5-20(31)14-18;23-19-12-16(29-14-24-25-26-29)2-4-18(19)20(31)13-27-8-5-22(6-9-27)7-10-28(21(22)32)15-1-3-17(30)11-15;1-16-18(3-4-20(24-16)29-15-23-25-26-29)19(30)13-27-10-7-22(8-11-27)6-2-9-28(21(22)31)17-5-12-34(32,33)14-17;30-18-4-2-16(12-18)28-9-1-6-22(21(28)32)7-10-27(11-8-22)14-20(31)19-5-3-17(13-23-19)29-15-24-25-26-29/h2*4-5,23,30H,3,6-15H2,1-2H3;4,6,13-14,16,22,32H,2-3,5,7-12,15H2,1H3;2,4,11-12,14,20,31H,1,3,5-10,13H2;3-4,14-15,19,30H,2,5-13H2,1H3;3,5,12-13,15,20,31H,1-2,4,6-11,14H2/t2*23-,26?;;;;/m00..../s1.

What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?

2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 2721.21 g/mol, XLogP of 11.24, 28 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-9-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-1-one;8-[2-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-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-oxocyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one);9-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 159044010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).