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

C22H21N3O3 — CID 11463002

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-indazol-3-amine
SMILESCOc1ccc(OC)c(CNc2n[nH]c3cccc(Oc4ccccc4)c23)c1
InChIInChI=1S/C22H21N3O3/c1-26-17-11-12-19(27-2)15(13-17)14-23-22-21-18(24-25-22)9-6-10-20(21)28-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3,(H2,23,24,25)
InChIKeyIZSSXVOTZNFJIV-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.98
Rot. Bonds7

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

N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-indazol-3-amine (PubChem CID 11463002) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-indazol-3-amine
PubChem CID11463002
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-indazol-3-amine
SMILESCOc1ccc(OC)c(CNc2n[nH]c3cccc(Oc4ccccc4)c23)c1
InChIInChI=1S/C22H21N3O3/c1-26-17-11-12-19(27-2)15(13-17)14-23-22-21-18(24-25-22)9-6-10-20(21)28-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3,(H2,23,24,25)
InChIKeyIZSSXVOTZNFJIV-UHFFFAOYSA-N
XLogP4.98
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.98
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-phenoxy-1H-indazol-3-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-indazol-3-amine (CID 11463002) is N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-indazol-3-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-indazol-3-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-indazol-3-amine is COc1ccc(OC)c(CNc2n[nH]c3cccc(Oc4ccccc4)c23)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-indazol-3-amine?
The InChIKey is IZSSXVOTZNFJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-26-17-11-12-19(27-2)15(13-17)14-23-22-21-18(24-25-22)9-6-10-20(21)28-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3,(H2,23,24,25).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-indazol-3-amine?
N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-indazol-3-amine has a molecular weight of 375.43 g/mol, XLogP of 4.98, 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-phenoxy-1H-indazol-3-amine is sourced from PubChem (CID 11463002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).