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

C15H18N4O — CID 69229027

IUPACN-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide
SMILESO=C(N[C@H]1CC2CCN1CC2)c1cccc2cn[nH]c12
InChIInChI=1S/C15H18N4O/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)/t13-/m1/s1
InChIKeyWJXVXLBKFYRFSE-CYBMUJFWSA-N
MW270.34 g/mol
LogP1.73
Rot. Bonds2

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

N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide (PubChem CID 69229027) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide
PubChem CID69229027
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide
SMILESO=C(N[C@H]1CC2CCN1CC2)c1cccc2cn[nH]c12
InChIInChI=1S/C15H18N4O/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)/t13-/m1/s1
InChIKeyWJXVXLBKFYRFSE-CYBMUJFWSA-N
XLogP1.73
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.73
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?
The IUPAC name of N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide (CID 69229027) is N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide is 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?
The InChIKey is WJXVXLBKFYRFSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O/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)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide?
N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.73, 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 is sourced from PubChem (CID 69229027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).