5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol

C103H84ClN13O10 — CID 159307336

IUPAC5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol
SMILESCNC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.COc1ccc2c(-c3ccc(C(=O)NO)cc3)nn(Cc3ccccc3)c2c1.O=C(NO)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1.O=Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3Cl)c3ccccc23)cc1
InChIInChI=1S/C22H19N3O3.C21H17ClN2O.C21H17N3O2.C20H17N3O2.C19H14N2O2/c1-28-18-11-12-19-20(13-18)25(14-15-5-3-2-4-6-15)23-21(19)16-7-9-17(10-8-16)22(26)24-27;22-19-7-3-1-5-17(19)13-24-20-8-4-2-6-18(20)21(23-24)16-11-9-15(14-25)10-12-16;25-21(23-26)17-12-10-16(11-13-17)20-18-8-4-5-9-19(18)24(22-20)14-15-6-2-1-3-7-15;1-21-20(24)18-12-11-17(25-18)19-15-9-5-6-10-16(15)23(22-19)13-14-7-3-2-4-8-14;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/h2-13,27H,14H2,1H3,(H,24,26);1-12,25H,13-14H2;1-13,26H,14H2,(H,23,25);2-12H,13H2,1H3,(H,21,24);1-11,13H,12H2
InChIKeyLCBVPFBEGIUERI-UHFFFAOYSA-N
MW1699.34 g/mol
LogP20.51
Rot. Bonds21

About 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol

5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol (PubChem CID 159307336) has the molecular formula C103H84ClN13O10 and a molecular weight of 1699.34 g/mol. Its IUPAC name is 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol
PubChem CID159307336
Molecular FormulaC103H84ClN13O10
Molecular Weight1699.34 g/mol
Exact Mass1697.62
IUPAC Name5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol
SMILESCNC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.COc1ccc2c(-c3ccc(C(=O)NO)cc3)nn(Cc3ccccc3)c2c1.O=C(NO)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1.O=Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3Cl)c3ccccc23)cc1
InChIInChI=1S/C22H19N3O3.C21H17ClN2O.C21H17N3O2.C20H17N3O2.C19H14N2O2/c1-28-18-11-12-19-20(13-18)25(14-15-5-3-2-4-6-15)23-21(19)16-7-9-17(10-8-16)22(26)24-27;22-19-7-3-1-5-17(19)13-24-20-8-4-2-6-18(20)21(23-24)16-11-9-15(14-25)10-12-16;25-21(23-26)17-12-10-16(11-13-17)20-18-8-4-5-9-19(18)24(22-20)14-15-6-2-1-3-7-15;1-21-20(24)18-12-11-17(25-18)19-15-9-5-6-10-16(15)23(22-19)13-14-7-3-2-4-8-14;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/h2-13,27H,14H2,1H3,(H,24,26);1-12,25H,13-14H2;1-13,26H,14H2,(H,23,25);2-12H,13H2,1H3,(H,21,24);1-11,13H,12H2
InChIKeyLCBVPFBEGIUERI-UHFFFAOYSA-N
XLogP20.51
TPSA289.67 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001699.34
LogP ≤ 520.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol?
The IUPAC name of 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol (CID 159307336) is 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol.
What is the SMILES notation for 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol?
The canonical SMILES for 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol is CNC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.COc1ccc2c(-c3ccc(C(=O)NO)cc3)nn(Cc3ccccc3)c2c1.O=C(NO)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1.O=Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3Cl)c3ccccc23)cc1.
What is the InChIKey of 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol?
The InChIKey is LCBVPFBEGIUERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3.C21H17ClN2O.C21H17N3O2.C20H17N3O2.C19H14N2O2/c1-28-18-11-12-19-20(13-18)25(14-15-5-3-2-4-6-15)23-21(19)16-7-9-17(10-8-16)22(26)24-27;22-19-7-3-1-5-17(19)13-24-20-8-4-2-6-18(20)21(23-24)16-11-9-15(14-25)10-12-16;25-21(23-26)17-12-10-16(11-13-17)20-18-8-4-5-9-19(18)24(22-20)14-15-6-2-1-3-7-15;1-21-20(24)18-12-11-17(25-18)19-15-9-5-6-10-16(15)23(22-19)13-14-7-3-2-4-8-14;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/h2-13,27H,14H2,1H3,(H,24,26);1-12,25H,13-14H2;1-13,26H,14H2,(H,23,25);2-12H,13H2,1H3,(H,21,24);1-11,13H,12H2.
What are the key properties of 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol?
5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol has a molecular weight of 1699.34 g/mol, XLogP of 20.51, 21 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde;4-(1-benzylindazol-3-yl)-N-hydroxybenzamide;5-(1-benzylindazol-3-yl)-N-methylfuran-2-carboxamide;4-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxybenzamide;[4-[1-[(2-chlorophenyl)methyl]indazol-3-yl]phenyl]methanol is sourced from PubChem (CID 159307336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).