N-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine

C22H20FN3O3 — CID 11486202

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine
SMILESCOc1ccc(OC)c(CNc2n[nH]c3cccc(Oc4ccc(F)cc4)c23)c1
InChIInChI=1S/C22H20FN3O3/c1-27-17-10-11-19(28-2)14(12-17)13-24-22-21-18(25-26-22)4-3-5-20(21)29-16-8-6-15(23)7-9-16/h3-12H,13H2,1-2H3,(H2,24,25,26)
InChIKeyYQRUWYHTUIAPJP-UHFFFAOYSA-N
MW393.42 g/mol
LogP5.12
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine

N-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine (PubChem CID 11486202) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine
PubChem CID11486202
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine
SMILESCOc1ccc(OC)c(CNc2n[nH]c3cccc(Oc4ccc(F)cc4)c23)c1
InChIInChI=1S/C22H20FN3O3/c1-27-17-10-11-19(28-2)14(12-17)13-24-22-21-18(25-26-22)4-3-5-20(21)29-16-8-6-15(23)7-9-16/h3-12H,13H2,1-2H3,(H2,24,25,26)
InChIKeyYQRUWYHTUIAPJP-UHFFFAOYSA-N
XLogP5.12
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.42
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine (CID 11486202) is N-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine is COc1ccc(OC)c(CNc2n[nH]c3cccc(Oc4ccc(F)cc4)c23)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine?
The InChIKey is YQRUWYHTUIAPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-27-17-10-11-19(28-2)14(12-17)13-24-22-21-18(25-26-22)4-3-5-20(21)29-16-8-6-15(23)7-9-16/h3-12H,13H2,1-2H3,(H2,24,25,26).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine?
N-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine has a molecular weight of 393.42 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)-1H-indazol-3-amine is sourced from PubChem (CID 11486202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).