N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide

C15H17BrN4O — CID 66636210

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H17BrN4O/c16-10-1-2-12-11(7-10)14(19-18-12)15(21)17-13-8-20-5-3-9(13)4-6-20/h1-2,7,9,13H,3-6,8H2,(H,17,21)(H,18,19)
InChIKeyCHIMYIMDQJTEAR-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.15
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide (PubChem CID 66636210) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide
PubChem CID66636210
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H17BrN4O/c16-10-1-2-12-11(7-10)14(19-18-12)15(21)17-13-8-20-5-3-9(13)4-6-20/h1-2,7,9,13H,3-6,8H2,(H,17,21)(H,18,19)
InChIKeyCHIMYIMDQJTEAR-UHFFFAOYSA-N
XLogP2.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide (CID 66636210) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide is O=C(NC1CN2CCC1CC2)c1n[nH]c2ccc(Br)cc12.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide?
The InChIKey is CHIMYIMDQJTEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-10-1-2-12-11(7-10)14(19-18-12)15(21)17-13-8-20-5-3-9(13)4-6-20/h1-2,7,9,13H,3-6,8H2,(H,17,21)(H,18,19).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide is sourced from PubChem (CID 66636210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).