1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone

C130H92F12N32O15S2 — CID 159193498

About 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone

1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone (PubChem CID 159193498) has the molecular formula C130H92F12N32O15S2 and a molecular weight of 2634.48 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone
• PubChem CID: 159193498
• Molecular Formula: C130H92F12N32O15S2
• Molecular Weight: 2634.48 g/mol
• Exact Mass: 2632.67
• IUPAC Name: 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone
• SMILES: Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1ccc2ccccc2n1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1nccc2ccccc12.O=C(CO)c1cc(F)c(Cn2nnc(-c3ccc4ccccc4n3)n2)c(F)c1.O=C(CO)c1cc(F)c(Cn2nnc(-c3nccc4ccccc34)n2)c(F)c1.O=C(CO)c1cc(F)c(Cn2nnnc2-c2ccco2)c(F)c1.O=C(CO)c1cc(F)c(Cn2nnnc2-c2nccc3ccccc23)c(F)c1.O=C(CO)c1ccc(Cn2nnnc2-c2ccc3ccccc3n2)cc1
• InChI: InChI=1S/2C20H14F2N4O2S.3C19H13F2N5O2.C19H15N5O2.C14H10F2N4O3/c1-26-19(16-7-6-11-4-2-3-5-15(11)23-16)24-25-20(26)29-18-13(21)8-12(9-14(18)22)17(28)10-27;1-26-19(17-13-5-3-2-4-11(13)6-7-23-17)24-25-20(26)29-18-14(21)8-12(9-15(18)22)16(28)10-27;20-14-7-12(18(28)10-27)8-15(21)13(14)9-26-24-19(23-25-26)17-6-5-11-3-1-2-4-16(11)22-17;20-15-7-12(17(28)10-27)8-16(21)14(15)9-26-19(23-24-25-26)18-13-4-2-1-3-11(13)5-6-22-18;20-15-7-12(17(28)10-27)8-16(21)14(15)9-26-24-19(23-25-26)18-13-4-2-1-3-11(13)5-6-22-18;25-12-18(26)15-7-5-13(6-8-15)11-24-19(21-22-23-24)17-10-9-14-3-1-2-4-16(14)20-17;15-10-4-8(12(22)7-21)5-11(16)9(10)6-20-14(17-18-19-20)13-2-1-3-23-13/h2*2-9,27H,10H2,1H3;3*1-8,27H,9-10H2;1-10,25H,11-12H2;1-5,21H,6-7H2
• InChIKey: KOJNMKRZAKKSJP-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 631.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 49
• Rotatable Bonds: 35
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2634.48
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone?

The IUPAC name of 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone (CID 159193498) is 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone.

What is the SMILES notation for 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone?

The canonical SMILES for 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone is Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1ccc2ccccc2n1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1nccc2ccccc12.O=C(CO)c1cc(F)c(Cn2nnc(-c3ccc4ccccc4n3)n2)c(F)c1.O=C(CO)c1cc(F)c(Cn2nnc(-c3nccc4ccccc34)n2)c(F)c1.O=C(CO)c1cc(F)c(Cn2nnnc2-c2ccco2)c(F)c1.O=C(CO)c1cc(F)c(Cn2nnnc2-c2nccc3ccccc23)c(F)c1.O=C(CO)c1ccc(Cn2nnnc2-c2ccc3ccccc3n2)cc1.

What is the InChIKey of 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone?

The InChIKey is KOJNMKRZAKKSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H14F2N4O2S.3C19H13F2N5O2.C19H15N5O2.C14H10F2N4O3/c1-26-19(16-7-6-11-4-2-3-5-15(11)23-16)24-25-20(26)29-18-13(21)8-12(9-14(18)22)17(28)10-27;1-26-19(17-13-5-3-2-4-11(13)6-7-23-17)24-25-20(26)29-18-14(21)8-12(9-15(18)22)16(28)10-27;20-14-7-12(18(28)10-27)8-15(21)13(14)9-26-24-19(23-25-26)17-6-5-11-3-1-2-4-16(11)22-17;20-15-7-12(17(28)10-27)8-16(21)14(15)9-26-19(23-24-25-26)18-13-4-2-1-3-11(13)5-6-22-18;20-15-7-12(17(28)10-27)8-16(21)14(15)9-26-24-19(23-25-26)18-13-4-2-1-3-11(13)5-6-22-18;25-12-18(26)15-7-5-13(6-8-15)11-24-19(21-22-23-24)17-10-9-14-3-1-2-4-16(14)20-17;15-10-4-8(12(22)7-21)5-11(16)9(10)6-20-14(17-18-19-20)13-2-1-3-23-13/h2*2-9,27H,10H2,1H3;3*1-8,27H,9-10H2;1-10,25H,11-12H2;1-5,21H,6-7H2.

What are the key properties of 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone?

1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone has a molecular weight of 2634.48 g/mol, XLogP of 17.99, 35 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 159193498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).