N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide

C17H13BrN4O — CID 165010635

IUPACN-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide
SMILESCc1cc2c(cc1C(=O)Nc1ccc3c(c1)C(Br)=NC3)CN=N2
InChIInChI=1S/C17H13BrN4O/c1-9-4-15-11(8-20-22-15)5-13(9)17(23)21-12-3-2-10-7-19-16(18)14(10)6-12/h2-6H,7-8H2,1H3,(H,21,23)
InChIKeyJQMXIQSNAIZXPK-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.50
Rot. Bonds2

About N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide

N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide (PubChem CID 165010635) has the molecular formula C17H13BrN4O and a molecular weight of 369.22 g/mol. Its IUPAC name is N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide
PubChem CID165010635
Molecular FormulaC17H13BrN4O
Molecular Weight369.22 g/mol
Exact Mass368.03
IUPAC NameN-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide
SMILESCc1cc2c(cc1C(=O)Nc1ccc3c(c1)C(Br)=NC3)CN=N2
InChIInChI=1S/C17H13BrN4O/c1-9-4-15-11(8-20-22-15)5-13(9)17(23)21-12-3-2-10-7-19-16(18)14(10)6-12/h2-6H,7-8H2,1H3,(H,21,23)
InChIKeyJQMXIQSNAIZXPK-UHFFFAOYSA-N
XLogP4.50
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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6-bromo-5-cyano-N-(3-methoxy-1H-isoindol-5-yl)-3,4-dimethylpyridine-2-carboxamide
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N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide?
The IUPAC name of N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide (CID 165010635) is N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide?
The canonical SMILES for N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide is Cc1cc2c(cc1C(=O)Nc1ccc3c(c1)C(Br)=NC3)CN=N2.
What is the InChIKey of N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide?
The InChIKey is JQMXIQSNAIZXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O/c1-9-4-15-11(8-20-22-15)5-13(9)17(23)21-12-3-2-10-7-19-16(18)14(10)6-12/h2-6H,7-8H2,1H3,(H,21,23).
What are the key properties of N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide?
N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide has a molecular weight of 369.22 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide is sourced from PubChem (CID 165010635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).