1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone

C124H114F6N26O21S6 — CID 159868441

About 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone

1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone (PubChem CID 159868441) has the molecular formula C124H114F6N26O21S6 and a molecular weight of 2610.83 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone
• PubChem CID: 159868441
• Molecular Formula: C124H114F6N26O21S6
• Molecular Weight: 2610.83 g/mol
• Exact Mass: 2608.69
• IUPAC Name: 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone
• SMILES: CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(-c3nnn(Cc4ccc(C(=O)CO)cc4)n3)c2C1.Cc1nc(N2CCOCC2)sc1-c1nnc(Cc2ccc(C(=O)CO)cc2)o1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1ccc(CN2CCCCC2)cc1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1cccs1.O=C(CO)c1cc(F)c(Cn2nnc(-c3ccco3)n2)c(F)c1.O=C(CO)c1ccc(Cc2nnc(-c3ccccc3)o2)cc1.O=C(CO)c1ccc(Cn2nnnc2-c2ccccn2)cc1
• InChI: InChI=1S/C23H24F2N4O2S.C21H22N4O5S2.C19H20N4O4S.C17H14N2O3.C15H11F2N3O2S2.C15H13N5O2.C14H10F2N4O3/c1-28-22(16-7-5-15(6-8-16)13-29-9-3-2-4-10-29)26-27-23(28)32-21-18(24)11-17(12-19(21)25)20(31)14-30;1-21(2)8-14-17(15(27)9-21)20(32(3,29)30)31-18(14)19-22-24-25(23-19)10-12-4-6-13(7-5-12)16(28)11-26;1-12-17(28-19(20-12)23-6-8-26-9-7-23)18-22-21-16(27-18)10-13-2-4-14(5-3-13)15(25)11-24;20-11-15(21)13-8-6-12(7-9-13)10-16-18-19-17(22-16)14-4-2-1-3-5-14;1-20-14(12-3-2-4-23-12)18-19-15(20)24-13-9(16)5-8(6-10(13)17)11(22)7-21;21-10-14(22)12-6-4-11(5-7-12)9-20-15(17-18-19-20)13-3-1-2-8-16-13;15-10-4-8(12(22)7-21)5-11(16)9(10)6-20-18-14(17-19-20)13-2-1-3-23-13/h5-8,11-12,30H,2-4,9-10,13-14H2,1H3;4-7,26H,8-11H2,1-3H3;2-5,24H,6-11H2,1H3;1-9,20H,10-11H2;2-6,21H,7H2,1H3;1-8,21H,9-10H2;1-5,21H,6-7H2
• InChIKey: NSAJYGUDBHVHRB-UHFFFAOYSA-N
• XLogP: 16.40
• TPSA: 637.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 52
• Rotatable Bonds: 39
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2610.83
LogP ≤ 5	16.40
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone?

The IUPAC name of 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone (CID 159868441) is 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone.

What is the SMILES notation for 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone?

The canonical SMILES for 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone is CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(-c3nnn(Cc4ccc(C(=O)CO)cc4)n3)c2C1.Cc1nc(N2CCOCC2)sc1-c1nnc(Cc2ccc(C(=O)CO)cc2)o1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1ccc(CN2CCCCC2)cc1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1cccs1.O=C(CO)c1cc(F)c(Cn2nnc(-c3ccco3)n2)c(F)c1.O=C(CO)c1ccc(Cc2nnc(-c3ccccc3)o2)cc1.O=C(CO)c1ccc(Cn2nnnc2-c2ccccn2)cc1.

What is the InChIKey of 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone?

The InChIKey is NSAJYGUDBHVHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2S.C21H22N4O5S2.C19H20N4O4S.C17H14N2O3.C15H11F2N3O2S2.C15H13N5O2.C14H10F2N4O3/c1-28-22(16-7-5-15(6-8-16)13-29-9-3-2-4-10-29)26-27-23(28)32-21-18(24)11-17(12-19(21)25)20(31)14-30;1-21(2)8-14-17(15(27)9-21)20(32(3,29)30)31-18(14)19-22-24-25(23-19)10-12-4-6-13(7-5-12)16(28)11-26;1-12-17(28-19(20-12)23-6-8-26-9-7-23)18-22-21-16(27-18)10-13-2-4-14(5-3-13)15(25)11-24;20-11-15(21)13-8-6-12(7-9-13)10-16-18-19-17(22-16)14-4-2-1-3-5-14;1-20-14(12-3-2-4-23-12)18-19-15(20)24-13-9(16)5-8(6-10(13)17)11(22)7-21;21-10-14(22)12-6-4-11(5-7-12)9-20-15(17-18-19-20)13-3-1-2-8-16-13;15-10-4-8(12(22)7-21)5-11(16)9(10)6-20-18-14(17-19-20)13-2-1-3-23-13/h5-8,11-12,30H,2-4,9-10,13-14H2,1H3;4-7,26H,8-11H2,1-3H3;2-5,24H,6-11H2,1H3;1-9,20H,10-11H2;2-6,21H,7H2,1H3;1-8,21H,9-10H2;1-5,21H,6-7H2.

What are the key properties of 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone?

1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone has a molecular weight of 2610.83 g/mol, XLogP of 16.40, 39 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 159868441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).