N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine

C17H19N3O3 — CID 784352

IUPACN-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine
SMILESCOc1ccc(CNc2ccc3cn[nH]c3c2)c(OC)c1OC
InChIInChI=1S/C17H19N3O3/c1-21-15-7-5-12(16(22-2)17(15)23-3)9-18-13-6-4-11-10-19-20-14(11)8-13/h4-8,10,18H,9H2,1-3H3,(H,19,20)
InChIKeyDJSRWZHFNCGVPR-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.20
Rot. Bonds6

About N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine

N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine (PubChem CID 784352) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine
PubChem CID784352
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine
SMILESCOc1ccc(CNc2ccc3cn[nH]c3c2)c(OC)c1OC
InChIInChI=1S/C17H19N3O3/c1-21-15-7-5-12(16(22-2)17(15)23-3)9-18-13-6-4-11-10-19-20-14(11)8-13/h4-8,10,18H,9H2,1-3H3,(H,19,20)
InChIKeyDJSRWZHFNCGVPR-UHFFFAOYSA-N
XLogP3.20
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-(3,5-dimethoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098475
N-(3-ethoxy-4-methoxybenzyl)-1H-indazol-6-amine
CID 784380
(Z)-3-(1H-indazol-4-ylamino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 60154816
1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole
CID 164613941
5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole
CID 164623102
4-(3,4,5-trimethoxyphenyl)-1H-indazole
CID 157013232
3-[3-(trifluoromethoxy)phenyl]-4-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine
CID 155543114
3-cyclopropyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine
CID 155545855
3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine
CID 155565116
5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-indole
CID 171355591
3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-indole
CID 171355791
1,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]indazol-6-amine
CID 172461465

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine?
The IUPAC name of N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine (CID 784352) is N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine?
The canonical SMILES for N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine is COc1ccc(CNc2ccc3cn[nH]c3c2)c(OC)c1OC.
What is the InChIKey of N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine?
The InChIKey is DJSRWZHFNCGVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-21-15-7-5-12(16(22-2)17(15)23-3)9-18-13-6-4-11-10-19-20-14(11)8-13/h4-8,10,18H,9H2,1-3H3,(H,19,20).
What are the key properties of N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine?
N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine has a molecular weight of 313.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine is sourced from PubChem (CID 784352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).