5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine

C17H19N3O3 — CID 162647414

IUPAC5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
SMILESCOc1cc(Nc2n[nH]c3ccc(C)cc23)cc(OC)c1OC
InChIInChI=1S/C17H19N3O3/c1-10-5-6-13-12(7-10)17(20-19-13)18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9H,1-4H3,(H2,18,19,20)
InChIKeyBOFUKMFLZLWYEA-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.64
Rot. Bonds5

About 5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine

5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine (PubChem CID 162647414) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
PubChem CID162647414
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
SMILESCOc1cc(Nc2n[nH]c3ccc(C)cc23)cc(OC)c1OC
InChIInChI=1S/C17H19N3O3/c1-10-5-6-13-12(7-10)17(20-19-13)18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9H,1-4H3,(H2,18,19,20)
InChIKeyBOFUKMFLZLWYEA-UHFFFAOYSA-N
XLogP3.64
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.64
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
(6-o-Tolyl-pyridazin-3-yl)-(3,4,5-trimethoxy-phenyl)-amine
CID 654211
N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine
CID 162654743
N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine
CID 162657553
N-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine
CID 162661341
A1/A3 AR antagonist 3
CID 167312186
5-(aminomethyl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine
CID 168286347
6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
CID 162644377
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
N',3-diphenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide
CID 164628940

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The IUPAC name of 5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine (CID 162647414) is 5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine.
What is the SMILES notation for 5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The canonical SMILES for 5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine is COc1cc(Nc2n[nH]c3ccc(C)cc23)cc(OC)c1OC.
What is the InChIKey of 5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The InChIKey is BOFUKMFLZLWYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10-5-6-13-12(7-10)17(20-19-13)18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9H,1-4H3,(H2,18,19,20).
What are the key properties of 5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine has a molecular weight of 313.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine is sourced from PubChem (CID 162647414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).