[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate

C100H80F2N12O14S — CID 161122741

IUPAC[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2n[nH]c3ccccc23)o1.COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.OCc1ccc(-c2n[nH]c3ccccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccsc23)o1
InChIInChI=1S/C20H15FN2O3.C19H15FN2O2.C19H16N2O2.C17H14N2O2S.C13H10N2O3.C12H10N2O2/c1-25-20(24)18-10-9-17(26-18)19-15-8-7-14(21)11-16(15)23(22-19)12-13-5-3-2-4-6-13;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;1-17-13(16)11-7-6-10(18-11)12-8-4-2-3-5-9(8)14-15-12;15-7-8-5-6-11(16-8)12-9-3-1-2-4-10(9)13-14-12/h2-11H,12H2,1H3;1-10,23H,11-12H2;1-11,22H,12-13H2;1-9,20H,10-11H2;2-7H,1H3,(H,14,15);1-6,15H,7H2,(H,13,14)
InChIKeyULDXBJTWNNAAJV-UHFFFAOYSA-N
MW1743.87 g/mol
LogP20.91
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-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate

[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate (PubChem CID 161122741) has the molecular formula C100H80F2N12O14S and a molecular weight of 1743.87 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-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate.

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-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate
PubChem CID161122741
Molecular FormulaC100H80F2N12O14S
Molecular Weight1743.87 g/mol
Exact Mass1742.56
IUPAC Name[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2n[nH]c3ccccc23)o1.COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.OCc1ccc(-c2n[nH]c3ccccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccsc23)o1
InChIInChI=1S/C20H15FN2O3.C19H15FN2O2.C19H16N2O2.C17H14N2O2S.C13H10N2O3.C12H10N2O2/c1-25-20(24)18-10-9-17(26-18)19-15-8-7-14(21)11-16(15)23(22-19)12-13-5-3-2-4-6-13;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;1-17-13(16)11-7-6-10(18-11)12-8-4-2-3-5-9(8)14-15-12;15-7-8-5-6-11(16-8)12-9-3-1-2-4-10(9)13-14-12/h2-11H,12H2,1H3;1-10,23H,11-12H2;1-11,22H,12-13H2;1-9,20H,10-11H2;2-7H,1H3,(H,14,15);1-6,15H,7H2,(H,13,14)
InChIKeyULDXBJTWNNAAJV-UHFFFAOYSA-N
XLogP20.91
TPSA341.00 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001743.87
LogP ≤ 520.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze [5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate 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-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate?
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-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate (CID 161122741) is [5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate.
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-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate?
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-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate is COC(=O)c1ccc(-c2n[nH]c3ccccc23)o1.COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.OCc1ccc(-c2n[nH]c3ccccc23)o1.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-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate?
The InChIKey is ULDXBJTWNNAAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3.C19H15FN2O2.C19H16N2O2.C17H14N2O2S.C13H10N2O3.C12H10N2O2/c1-25-20(24)18-10-9-17(26-18)19-15-8-7-14(21)11-16(15)23(22-19)12-13-5-3-2-4-6-13;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;1-17-13(16)11-7-6-10(18-11)12-8-4-2-3-5-9(8)14-15-12;15-7-8-5-6-11(16-8)12-9-3-1-2-4-10(9)13-14-12/h2-11H,12H2,1H3;1-10,23H,11-12H2;1-11,22H,12-13H2;1-9,20H,10-11H2;2-7H,1H3,(H,14,15);1-6,15H,7H2,(H,13,14).
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-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate?
[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate has a molecular weight of 1743.87 g/mol, XLogP of 20.91, 20 rotatable bonds, 6 hydrogen bond donors, and 25 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-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate is sourced from PubChem (CID 161122741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).