N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride

C15H19ClN4O — CID 69371978

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)C1=NN=C2CC=CC=C21
InChIInChI=1S/C15H18N4O.ClH/c20-15(14-12-3-1-2-4-13(12)18-19-14)17-11-7-9-5-6-10(8-11)16-9;/h1-3,9-11,16H,4-8H2,(H,17,20);1H
InChIKeyLYHXJGLMKOFNDG-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.50
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride (PubChem CID 69371978) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride
PubChem CID69371978
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)C1=NN=C2CC=CC=C21
InChIInChI=1S/C15H18N4O.ClH/c20-15(14-12-3-1-2-4-13(12)18-19-14)17-11-7-9-5-6-10(8-11)16-9;/h1-3,9-11,16H,4-8H2,(H,17,20);1H
InChIKeyLYHXJGLMKOFNDG-UHFFFAOYSA-N
XLogP1.50
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride (CID 69371978) is N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)C1=NN=C2CC=CC=C21.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride?
The InChIKey is LYHXJGLMKOFNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c20-15(14-12-3-1-2-4-13(12)18-19-14)17-11-7-9-5-6-10(8-11)16-9;/h1-3,9-11,16H,4-8H2,(H,17,20);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 69371978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).