methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate

C18H18N2O4 — CID 169188076

IUPACmethyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate
SMILESCOC(=O)c1ccc2cn(Cc3cc(OC)cc(OC)c3)nc2c1
InChIInChI=1S/C18H18N2O4/c1-22-15-6-12(7-16(9-15)23-2)10-20-11-14-5-4-13(18(21)24-3)8-17(14)19-20/h4-9,11H,10H2,1-3H3
InChIKeyJAHZHAPQQHDKJW-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.89
Rot. Bonds5

About methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate

methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate (PubChem CID 169188076) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate
PubChem CID169188076
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namemethyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate
SMILESCOC(=O)c1ccc2cn(Cc3cc(OC)cc(OC)c3)nc2c1
InChIInChI=1S/C18H18N2O4/c1-22-15-6-12(7-16(9-15)23-2)10-20-11-14-5-4-13(18(21)24-3)8-17(14)19-20/h4-9,11H,10H2,1-3H3
InChIKeyJAHZHAPQQHDKJW-UHFFFAOYSA-N
XLogP2.89
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-phenylpropyl)indazole-6-carboxylate
CID 24953212
methyl 2-methoxyindazole-6-carboxylate
CID 141268418
methyl 4-(indazol-2-ylmethyl)-3-methoxybenzoate
CID 21029858
2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid
CID 176884945
methyl 2-cyclopentylindazole-6-carboxylate
CID 54059647
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate
CID 175654005
methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate
CID 59023809
methyl 2-[4-(4-benzylpiperazin-1-yl)-1-bicyclo[2.2.2]octanyl]indazole-6-carboxylate
CID 175973074
methyl 4-[2-[3-[2-(3,5-dimethoxyphenyl)-2-oxoacetyl]-5-methoxyphenyl]ethyl]benzoate
CID 172869617
methyl 2-(oxan-4-yl)indazole-6-carboxylate
CID 137377490
methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567251

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate?
The IUPAC name of methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate (CID 169188076) is methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate.
What is the SMILES notation for methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate?
The canonical SMILES for methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate is COC(=O)c1ccc2cn(Cc3cc(OC)cc(OC)c3)nc2c1.
What is the InChIKey of methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate?
The InChIKey is JAHZHAPQQHDKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-22-15-6-12(7-16(9-15)23-2)10-20-11-14-5-4-13(18(21)24-3)8-17(14)19-20/h4-9,11H,10H2,1-3H3.
What are the key properties of methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate?
methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate is sourced from PubChem (CID 169188076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).