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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Related Compounds

n-(2,5-Dimethoxybenzyl)-4-[4-(methylsulfonyl)phenoxy]-1h-indazol-3-amine
CID 11236353
N-[4-({[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino}methyl)phenyl]acetamide
CID 11269297
N-(2,5-dimethoxybenzyl)-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 11372308
N-(4-{[(4-phenoxy-1H-indazol-3-yl)amino]methyl}phenyl)acetamide
CID 11257276
N-(2,5-dimethoxybenzyl)-5-nitro-4-phenoxy-1H-indazol-3-amine
CID 11374509
N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-indazol-3-amine
CID 11463002
N-(2,5-dichlorobenzyl)-4-phenoxy-1H-indazol-3-amine
CID 44397760
N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)-4-methoxy-1H-indazol-3-amine
CID 44405409
N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride
CID 53320511
[4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate
CID 90645436
N-[(3-chlorophenyl)methyl]-4-phenoxy-1H-indazol-3-amine
CID 44397783
4-(3-methylphenoxy)-1H-indazol-3-amine
CID 44523368

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).