N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride

C15H19ClN4O — CID 69229026

IUPACN-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride
SMILESCl.O=C(N[C@H]1CC2CCN1CC2)c1cccc2cn[nH]c12
InChIInChI=1S/C15H18N4O.ClH/c20-15(12-3-1-2-11-9-16-18-14(11)12)17-13-8-10-4-6-19(13)7-5-10;/h1-3,9-10,13H,4-8H2,(H,16,18)(H,17,20);1H/t13-;/m1./s1
InChIKeyDUBZFGKHMVORBT-BTQNPOSSSA-N
MW306.80 g/mol
LogP2.16
Rot. Bonds2

About N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride

N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride (PubChem CID 69229026) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride
PubChem CID69229026
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride
SMILESCl.O=C(N[C@H]1CC2CCN1CC2)c1cccc2cn[nH]c12
InChIInChI=1S/C15H18N4O.ClH/c20-15(12-3-1-2-11-9-16-18-14(11)12)17-13-8-10-4-6-19(13)7-5-10;/h1-3,9-10,13H,4-8H2,(H,16,18)(H,17,20);1H/t13-;/m1./s1
InChIKeyDUBZFGKHMVORBT-BTQNPOSSSA-N
XLogP2.16
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride (CID 69229026) is N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride is Cl.O=C(N[C@H]1CC2CCN1CC2)c1cccc2cn[nH]c12.
What is the InChIKey of N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride?
The InChIKey is DUBZFGKHMVORBT-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c20-15(12-3-1-2-11-9-16-18-14(11)12)17-13-8-10-4-6-19(13)7-5-10;/h1-3,9-10,13H,4-8H2,(H,16,18)(H,17,20);1H/t13-;/m1./s1.
What are the key properties of N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride?
N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride is sourced from PubChem (CID 69229026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).