N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide

C15H12BrN3OS — CID 10286967

IUPACN-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3sccc3Br)ccc12)C1CC1
InChIInChI=1S/C15H12BrN3OS/c16-11-5-6-21-13(11)9-3-4-10-12(7-9)18-19-14(10)17-15(20)8-1-2-8/h3-8H,1-2H2,(H2,17,18,19,20)
InChIKeyABCKIBNMLJYZIB-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.40
Rot. Bonds3

About N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide

N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide (PubChem CID 10286967) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
PubChem CID10286967
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC NameN-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3sccc3Br)ccc12)C1CC1
InChIInChI=1S/C15H12BrN3OS/c16-11-5-6-21-13(11)9-3-4-10-12(7-9)18-19-14(10)17-15(20)8-1-2-8/h3-8H,1-2H2,(H2,17,18,19,20)
InChIKeyABCKIBNMLJYZIB-UHFFFAOYSA-N
XLogP4.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(6-oxo-1H-pyridin-3-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539601
N-(6-hydroxy-1H-indazol-3-yl)cyclopropanecarboxamide
CID 135546358
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69059640
N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065843
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69064177
N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 155566480
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69062286
N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 155807685
N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065189
N-(6-phenyl-1H-pyrazolo[4,3-c]pyridin-3-yl)cyclopropanecarboxamide
CID 10214741
N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide
CID 155535984

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide (CID 10286967) is N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide is O=C(Nc1n[nH]c2cc(-c3sccc3Br)ccc12)C1CC1.
What is the InChIKey of N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide?
The InChIKey is ABCKIBNMLJYZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c16-11-5-6-21-13(11)9-3-4-10-12(7-9)18-19-14(10)17-15(20)8-1-2-8/h3-8H,1-2H2,(H2,17,18,19,20).
What are the key properties of N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide?
N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide has a molecular weight of 362.25 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 10286967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).