[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol

C95H79FN10O11S — CID 161334125

IUPAC[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
SMILESCc1ccc2c(-c3ccc(C(=O)O)o3)nn(Cc3ccccc3)c2c1.Cc1ccc2c(-c3ccc(CO)o3)nn(Cc3ccccc3)c2c1.OCc1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccsc23)o1
InChIInChI=1S/C20H16N2O3.C20H18N2O2.C19H15FN2O2.C19H16N2O2.C17H14N2O2S/c1-13-7-8-15-16(11-13)22(12-14-5-3-2-4-6-14)21-19(15)17-9-10-18(25-17)20(23)24;1-14-7-9-17-18(11-14)22(12-15-5-3-2-4-6-15)21-20(17)19-10-8-16(13-23)24-19;20-14-6-8-16-17(10-14)22(11-13-4-2-1-3-5-13)21-19(16)18-9-7-15(12-23)24-18;22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14;20-11-13-6-7-15(21-13)16-17-14(8-9-22-17)19(18-16)10-12-4-2-1-3-5-12/h2-11H,12H2,1H3,(H,23,24);2-11,23H,12-13H2,1H3;1-10,23H,11-12H2;1-11,22H,12-13H2;1-9,20H,10-11H2
InChIKeyVLUOZIZLLWUNQT-UHFFFAOYSA-N
MW1587.80 g/mol
LogP20.21
Rot. Bonds20

About [5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol

[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol (PubChem CID 161334125) has the molecular formula C95H79FN10O11S and a molecular weight of 1587.80 g/mol. Its IUPAC name is [5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
PubChem CID161334125
Molecular FormulaC95H79FN10O11S
Molecular Weight1587.80 g/mol
Exact Mass1586.56
IUPAC Name[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
SMILESCc1ccc2c(-c3ccc(C(=O)O)o3)nn(Cc3ccccc3)c2c1.Cc1ccc2c(-c3ccc(CO)o3)nn(Cc3ccccc3)c2c1.OCc1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccsc23)o1
InChIInChI=1S/C20H16N2O3.C20H18N2O2.C19H15FN2O2.C19H16N2O2.C17H14N2O2S/c1-13-7-8-15-16(11-13)22(12-14-5-3-2-4-6-14)21-19(15)17-9-10-18(25-17)20(23)24;1-14-7-9-17-18(11-14)22(12-15-5-3-2-4-6-15)21-20(17)19-10-8-16(13-23)24-19;20-14-6-8-16-17(10-14)22(11-13-4-2-1-3-5-13)21-19(16)18-9-7-15(12-23)24-18;22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14;20-11-13-6-7-15(21-13)16-17-14(8-9-22-17)19(18-16)10-12-4-2-1-3-5-12/h2-11H,12H2,1H3,(H,23,24);2-11,23H,12-13H2,1H3;1-10,23H,11-12H2;1-11,22H,12-13H2;1-9,20H,10-11H2
InChIKeyVLUOZIZLLWUNQT-UHFFFAOYSA-N
XLogP20.21
TPSA273.02 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001587.80
LogP ≤ 520.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze [5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The IUPAC name of [5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol (CID 161334125) is [5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol.
What is the SMILES notation for [5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The canonical SMILES for [5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol is Cc1ccc2c(-c3ccc(C(=O)O)o3)nn(Cc3ccccc3)c2c1.Cc1ccc2c(-c3ccc(CO)o3)nn(Cc3ccccc3)c2c1.OCc1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccsc23)o1.
What is the InChIKey of [5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The InChIKey is VLUOZIZLLWUNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3.C20H18N2O2.C19H15FN2O2.C19H16N2O2.C17H14N2O2S/c1-13-7-8-15-16(11-13)22(12-14-5-3-2-4-6-14)21-19(15)17-9-10-18(25-17)20(23)24;1-14-7-9-17-18(11-14)22(12-15-5-3-2-4-6-15)21-20(17)19-10-8-16(13-23)24-19;20-14-6-8-16-17(10-14)22(11-13-4-2-1-3-5-13)21-19(16)18-9-7-15(12-23)24-18;22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14;20-11-13-6-7-15(21-13)16-17-14(8-9-22-17)19(18-16)10-12-4-2-1-3-5-12/h2-11H,12H2,1H3,(H,23,24);2-11,23H,12-13H2,1H3;1-10,23H,11-12H2;1-11,22H,12-13H2;1-9,20H,10-11H2.
What are the key properties of [5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol has a molecular weight of 1587.80 g/mol, XLogP of 20.21, 20 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol is sourced from PubChem (CID 161334125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).