1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole

C23H20FN3O5 — CID 11797229

IUPAC1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole
SMILESCOc1ccc2c(c1)c(OCCOc1ccc([N+](=O)[O-])cc1)nn2Cc1ccc(F)cc1
InChIInChI=1S/C23H20FN3O5/c1-30-20-10-11-22-21(14-20)23(25-26(22)15-16-2-4-17(24)5-3-16)32-13-12-31-19-8-6-18(7-9-19)27(28)29/h2-11,14H,12-13,15H2,1H3
InChIKeyIRHLRVDDONZRCM-UHFFFAOYSA-N
MW437.43 g/mol
LogP4.60
Rot. Bonds9

About 1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole

1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole (PubChem CID 11797229) has the molecular formula C23H20FN3O5 and a molecular weight of 437.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole
PubChem CID11797229
Molecular FormulaC23H20FN3O5
Molecular Weight437.43 g/mol
Exact Mass437.14
IUPAC Name1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole
SMILESCOc1ccc2c(c1)c(OCCOc1ccc([N+](=O)[O-])cc1)nn2Cc1ccc(F)cc1
InChIInChI=1S/C23H20FN3O5/c1-30-20-10-11-22-21(14-20)23(25-26(22)15-16-2-4-17(24)5-3-16)32-13-12-31-19-8-6-18(7-9-19)27(28)29/h2-11,14H,12-13,15H2,1H3
InChIKeyIRHLRVDDONZRCM-UHFFFAOYSA-N
XLogP4.60
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole (CID 11797229) is 1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole is COc1ccc2c(c1)c(OCCOc1ccc([N+](=O)[O-])cc1)nn2Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole?
The InChIKey is IRHLRVDDONZRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O5/c1-30-20-10-11-22-21(14-20)23(25-26(22)15-16-2-4-17(24)5-3-16)32-13-12-31-19-8-6-18(7-9-19)27(28)29/h2-11,14H,12-13,15H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole?
1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole has a molecular weight of 437.43 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole is sourced from PubChem (CID 11797229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).