methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate

C17H15BrN2O3 — CID 175654005

IUPACmethyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(Br)nn(Cc3ccc(OC)cc3)c2c1
InChIInChI=1S/C17H15BrN2O3/c1-22-13-6-3-11(4-7-13)10-20-15-9-12(17(21)23-2)5-8-14(15)16(18)19-20/h3-9H,10H2,1-2H3
InChIKeyABYZGIXBCWPNMY-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.64
Rot. Bonds4

About methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate

methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate (PubChem CID 175654005) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate
PubChem CID175654005
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Namemethyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(Br)nn(Cc3ccc(OC)cc3)c2c1
InChIInChI=1S/C17H15BrN2O3/c1-22-13-6-3-11(4-7-13)10-20-15-9-12(17(21)23-2)5-8-14(15)16(18)19-20/h3-9H,10H2,1-2H3
InChIKeyABYZGIXBCWPNMY-UHFFFAOYSA-N
XLogP3.64
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate 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

methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
methyl 2,4-dichloro-5-[(4-methoxyphenyl)methyl]pyrimido[5,4-b]indole-7-carboxylate
CID 171842045
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone
CID 10472547
methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 171648200
methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate
CID 175951142
methyl 3-bromo-1-(3-methoxypropyl)indazole-6-carboxylate;methyl 3-fluoro-1-(3-methoxypropyl)indazole-6-carboxylate;methyl 1-(3-methoxypropyl)indazole-6-carboxylate
CID 159560806
methyl 3-(hydroxymethyl)-4-[2-[(4-methoxyphenyl)methyl]-6-methyl-3-oxopyridazin-4-yl]oxybenzoate
CID 138487716
5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide
CID 11349031
methyl 4-(1,2,4-triazol-4-ylmethyl)benzoate
CID 56737284
1-[4-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-5-yl]ethanone
CID 90162740
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate?
The IUPAC name of methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate (CID 175654005) is methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate.
What is the SMILES notation for methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate?
The canonical SMILES for methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate is COC(=O)c1ccc2c(Br)nn(Cc3ccc(OC)cc3)c2c1.
What is the InChIKey of methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate?
The InChIKey is ABYZGIXBCWPNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-22-13-6-3-11(4-7-13)10-20-15-9-12(17(21)23-2)5-8-14(15)16(18)19-20/h3-9H,10H2,1-2H3.
What are the key properties of methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate?
methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate has a molecular weight of 375.22 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate is sourced from PubChem (CID 175654005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).