5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine

C20H21FN4O4 — CID 66767180

IUPAC5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine
SMILESCN(C)c1cc2c(cnn2C2CCCCO2)cc1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C20H21FN4O4/c1-23(2)17-11-16-13(12-22-24(16)20-5-3-4-8-28-20)9-19(17)29-18-7-6-14(25(26)27)10-15(18)21/h6-7,9-12,20H,3-5,8H2,1-2H3
InChIKeyUNDGASQSGFZFFV-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.64
Rot. Bonds5

About 5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine

5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine (PubChem CID 66767180) has the molecular formula C20H21FN4O4 and a molecular weight of 400.41 g/mol. Its IUPAC name is 5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine
PubChem CID66767180
Molecular FormulaC20H21FN4O4
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC Name5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine
SMILESCN(C)c1cc2c(cnn2C2CCCCO2)cc1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C20H21FN4O4/c1-23(2)17-11-16-13(12-22-24(16)20-5-3-4-8-28-20)9-19(17)29-18-7-6-14(25(26)27)10-15(18)21/h6-7,9-12,20H,3-5,8H2,1-2H3
InChIKeyUNDGASQSGFZFFV-UHFFFAOYSA-N
XLogP4.64
TPSA82.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-6-nitro-2H-indazole
CID 622831
2-(2-methoxyphenyl)-4,6-dinitro-2H-indazole
CID 4410945
2-(2-Methoxyphenyl)-6-nitroindazole
CID 671433
N-(2-ethoxyphenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 4352278
4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-2H-indazole
CID 632684
2-Cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole
CID 175435834
2-(4-Methoxyphenyl)-4,6-dinitro-2H-indazole
CID 628790
1-(2-methoxyphenyl)-4,6-dinitro-1H-indazole
CID 1825235
8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinoline
CID 46251415
1-[(4-Fluorophenyl)methyl]-5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]indazole
CID 11797229
3-[[2-(Fluoromethyl)phenyl]methoxy]-5-methoxy-1-[2-(4-nitrophenoxy)ethyl]indazole
CID 17911320
5-Methoxy-1-[2-(4-nitrophenoxy)ethyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]indazole
CID 17911393

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine?
The IUPAC name of 5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine (CID 66767180) is 5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine.
What is the SMILES notation for 5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine?
The canonical SMILES for 5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine is CN(C)c1cc2c(cnn2C2CCCCO2)cc1Oc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine?
The InChIKey is UNDGASQSGFZFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4/c1-23(2)17-11-16-13(12-22-24(16)20-5-3-4-8-28-20)9-19(17)29-18-7-6-14(25(26)27)10-15(18)21/h6-7,9-12,20H,3-5,8H2,1-2H3.
What are the key properties of 5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine?
5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine has a molecular weight of 400.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-nitrophenoxy)-N,N-dimethyl-1-(oxan-2-yl)indazol-6-amine is sourced from PubChem (CID 66767180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).