N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine

C16H17N3O3 — CID 162654743

IUPACN-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine
SMILESCOc1cc(Nc2n[nH]c3cc(OC)ccc23)cc(OC)c1
InChIInChI=1S/C16H17N3O3/c1-20-11-4-5-14-15(9-11)18-19-16(14)17-10-6-12(21-2)8-13(7-10)22-3/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyJYNSPAJSKRLDCH-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.33
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine

N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine (PubChem CID 162654743) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine
PubChem CID162654743
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine
SMILESCOc1cc(Nc2n[nH]c3cc(OC)ccc23)cc(OC)c1
InChIInChI=1S/C16H17N3O3/c1-20-11-4-5-14-15(9-11)18-19-16(14)17-10-6-12(21-2)8-13(7-10)22-3/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyJYNSPAJSKRLDCH-UHFFFAOYSA-N
XLogP3.33
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tubulin inhibitor 26
CID 156696051
6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
CID 156696053
N-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 122178343
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 122195167
N-(3,4-difluorophenyl)-6-(trifluoromethoxy)-1H-indazol-3-amine
CID 137635177
N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine
CID 162657553
N-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine
CID 162661341
6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
CID 162644377
5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
CID 162647414
4-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
CID 162650171
7-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
CID 162653085
6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine
CID 164621773

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine (CID 162654743) is N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine is COc1cc(Nc2n[nH]c3cc(OC)ccc23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine?
The InChIKey is JYNSPAJSKRLDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-20-11-4-5-14-15(9-11)18-19-16(14)17-10-6-12(21-2)8-13(7-10)22-3/h4-9H,1-3H3,(H2,17,18,19).
What are the key properties of N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine?
N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine has a molecular weight of 299.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine is sourced from PubChem (CID 162654743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).