N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide

C16H14BrN3O2 — CID 46341642

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
SMILESCOc1ccc(Br)cc1CNC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H14BrN3O2/c1-22-15-5-4-13(17)6-12(15)8-18-16(21)10-2-3-11-9-19-20-14(11)7-10/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyRGYXUHLPDHFBHX-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.26
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide

N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide (PubChem CID 46341642) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
PubChem CID46341642
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
SMILESCOc1ccc(Br)cc1CNC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H14BrN3O2/c1-22-15-5-4-13(17)6-12(15)8-18-16(21)10-2-3-11-9-19-20-14(11)7-10/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyRGYXUHLPDHFBHX-UHFFFAOYSA-N
XLogP3.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-1H-indazole-6-carboxamide
CID 62062398
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide
CID 63379684
N-[(5-bromo-2-methoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084655
N-[(2-methoxy-4-pyridinyl)methyl]-1H-indazole-6-carboxamide
CID 60721835
N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide
CID 115665391
N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62921443
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905804
methyl 6-(1H-indazole-6-carbonylamino)hexanoate
CID 43423425

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide (CID 46341642) is N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide is COc1ccc(Br)cc1CNC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide?
The InChIKey is RGYXUHLPDHFBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-22-15-5-4-13(17)6-12(15)8-18-16(21)10-2-3-11-9-19-20-14(11)7-10/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 46341642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).