1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde

C102H82FN11O13 — CID 173273438

IUPAC1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde
SMILESCOCOCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.COc1cccc(Cn2nc(-c3ccc(C=O)o3)c3ccccc32)c1.N#Cc1ccc(Cn2nc(-c3ccc(C=O)o3)c3ccccc32)cc1.O=Cc1ccc(-c2nn(Cc3ccccc3F)c3ccccc23)o1.c1ccc(Cn2nc(-c3ccc(COCC4CO4)o3)c3ccccc32)cc1
InChIInChI=1S/C22H20N2O3.C21H20N2O3.C20H13N3O2.C20H16N2O3.C19H13FN2O2/c1-2-6-16(7-3-1)12-24-20-9-5-4-8-19(20)22(23-24)21-11-10-17(27-21)13-25-14-18-15-26-18;1-24-15-25-14-17-11-12-20(26-17)21-18-9-5-6-10-19(18)23(22-21)13-16-7-3-2-4-8-16;21-11-14-5-7-15(8-6-14)12-23-18-4-2-1-3-17(18)20(22-23)19-10-9-16(13-24)25-19;1-24-15-6-4-5-14(11-15)12-22-18-8-3-2-7-17(18)20(21-22)19-10-9-16(13-23)25-19;20-16-7-3-1-5-13(16)11-22-17-8-4-2-6-15(17)19(21-22)18-10-9-14(12-23)24-18/h1-11,18H,12-15H2;2-12H,13-15H2,1H3;1-10,13H,12H2;2-11,13H,12H2,1H3;1-10,12H,11H2
InChIKeyCRSCNCJFBGUGBT-UHFFFAOYSA-N
MW1688.84 g/mol
LogP21.22
Rot. Bonds27

About 1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde

1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde (PubChem CID 173273438) has the molecular formula C102H82FN11O13 and a molecular weight of 1688.84 g/mol. Its IUPAC name is 1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde
PubChem CID173273438
Molecular FormulaC102H82FN11O13
Molecular Weight1688.84 g/mol
Exact Mass1687.61
IUPAC Name1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde
SMILESCOCOCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.COc1cccc(Cn2nc(-c3ccc(C=O)o3)c3ccccc32)c1.N#Cc1ccc(Cn2nc(-c3ccc(C=O)o3)c3ccccc32)cc1.O=Cc1ccc(-c2nn(Cc3ccccc3F)c3ccccc23)o1.c1ccc(Cn2nc(-c3ccc(COCC4CO4)o3)c3ccccc32)cc1
InChIInChI=1S/C22H20N2O3.C21H20N2O3.C20H13N3O2.C20H16N2O3.C19H13FN2O2/c1-2-6-16(7-3-1)12-24-20-9-5-4-8-19(20)22(23-24)21-11-10-17(27-21)13-25-14-18-15-26-18;1-24-15-25-14-17-11-12-20(26-17)21-18-9-5-6-10-19(18)23(22-21)13-16-7-3-2-4-8-16;21-11-14-5-7-15(8-6-14)12-23-18-4-2-1-3-17(18)20(22-23)19-10-9-16(13-24)25-19;1-24-15-6-4-5-14(11-15)12-22-18-8-3-2-7-17(18)20(21-22)19-10-9-16(13-23)25-19;20-16-7-3-1-5-13(16)11-22-17-8-4-2-6-15(17)19(21-22)18-10-9-14(12-23)24-18/h1-11,18H,12-15H2;2-12H,13-15H2,1H3;1-10,13H,12H2;2-11,13H,12H2,1H3;1-10,12H,11H2
InChIKeyCRSCNCJFBGUGBT-UHFFFAOYSA-N
XLogP21.22
TPSA279.25 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001688.84
LogP ≤ 521.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde?
The IUPAC name of 1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde (CID 173273438) is 1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde.
What is the SMILES notation for 1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde?
The canonical SMILES for 1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde is COCOCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.COc1cccc(Cn2nc(-c3ccc(C=O)o3)c3ccccc32)c1.N#Cc1ccc(Cn2nc(-c3ccc(C=O)o3)c3ccccc32)cc1.O=Cc1ccc(-c2nn(Cc3ccccc3F)c3ccccc23)o1.c1ccc(Cn2nc(-c3ccc(COCC4CO4)o3)c3ccccc32)cc1.
What is the InChIKey of 1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde?
The InChIKey is CRSCNCJFBGUGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3.C21H20N2O3.C20H13N3O2.C20H16N2O3.C19H13FN2O2/c1-2-6-16(7-3-1)12-24-20-9-5-4-8-19(20)22(23-24)21-11-10-17(27-21)13-25-14-18-15-26-18;1-24-15-25-14-17-11-12-20(26-17)21-18-9-5-6-10-19(18)23(22-21)13-16-7-3-2-4-8-16;21-11-14-5-7-15(8-6-14)12-23-18-4-2-1-3-17(18)20(22-23)19-10-9-16(13-24)25-19;1-24-15-6-4-5-14(11-15)12-22-18-8-3-2-7-17(18)20(21-22)19-10-9-16(13-23)25-19;20-16-7-3-1-5-13(16)11-22-17-8-4-2-6-15(17)19(21-22)18-10-9-14(12-23)24-18/h1-11,18H,12-15H2;2-12H,13-15H2,1H3;1-10,13H,12H2;2-11,13H,12H2,1H3;1-10,12H,11H2.
What are the key properties of 1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde?
1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde has a molecular weight of 1688.84 g/mol, XLogP of 21.22, 27 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[5-(methoxymethoxymethyl)furan-2-yl]indazole;1-benzyl-3-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]indazole;5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde;4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile;5-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]furan-2-carbaldehyde is sourced from PubChem (CID 173273438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).