5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine

C21H17F2N3O2 — CID 52939866

IUPAC5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine
SMILESCOc1cc(F)c(F)cc1-c1ccc(OCc2ccc3[nH]nc(N)c3c2)cc1
InChIInChI=1S/C21H17F2N3O2/c1-27-20-10-18(23)17(22)9-15(20)13-3-5-14(6-4-13)28-11-12-2-7-19-16(8-12)21(24)26-25-19/h2-10H,11H2,1H3,(H3,24,25,26)
InChIKeyIGQMHEFYCVRNKI-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.68
Rot. Bonds5

About 5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine

5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine (PubChem CID 52939866) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is 5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine
PubChem CID52939866
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC Name5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine
SMILESCOc1cc(F)c(F)cc1-c1ccc(OCc2ccc3[nH]nc(N)c3c2)cc1
InChIInChI=1S/C21H17F2N3O2/c1-27-20-10-18(23)17(22)9-15(20)13-3-5-14(6-4-13)28-11-12-2-7-19-16(8-12)21(24)26-25-19/h2-10H,11H2,1H3,(H3,24,25,26)
InChIKeyIGQMHEFYCVRNKI-UHFFFAOYSA-N
XLogP4.68
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine?
The IUPAC name of 5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine (CID 52939866) is 5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine?
The canonical SMILES for 5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine is COc1cc(F)c(F)cc1-c1ccc(OCc2ccc3[nH]nc(N)c3c2)cc1.
What is the InChIKey of 5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine?
The InChIKey is IGQMHEFYCVRNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c1-27-20-10-18(23)17(22)9-15(20)13-3-5-14(6-4-13)28-11-12-2-7-19-16(8-12)21(24)26-25-19/h2-10H,11H2,1H3,(H3,24,25,26).
What are the key properties of 5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine?
5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine has a molecular weight of 381.38 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1H-indazol-3-amine is sourced from PubChem (CID 52939866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).