N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide

C15H18N4O — CID 67288688

IUPACN-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide
SMILESO=C(NN1CC2CCC1CC2)c1cccc2[nH]ncc12
InChIInChI=1S/C15H18N4O/c20-15(12-2-1-3-14-13(12)8-16-17-14)18-19-9-10-4-6-11(19)7-5-10/h1-3,8,10-11H,4-7,9H2,(H,16,17)(H,18,20)
InChIKeyMGZRNRRLKDMCBE-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.08
Rot. Bonds2

About N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide

N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide (PubChem CID 67288688) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide
PubChem CID67288688
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide
SMILESO=C(NN1CC2CCC1CC2)c1cccc2[nH]ncc12
InChIInChI=1S/C15H18N4O/c20-15(12-2-1-3-14-13(12)8-16-17-14)18-19-9-10-4-6-11(19)7-5-10/h1-3,8,10-11H,4-7,9H2,(H,16,17)(H,18,20)
InChIKeyMGZRNRRLKDMCBE-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone
CID 11514570
N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide
CID 94821910
N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide
CID 47330976
1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide
CID 120947793
N-(3-hydroxypropyl)-1H-indazole-4-carboxamide
CID 110468684
N-(1-phenylcyclopropyl)-1H-indazole-4-carboxamide
CID 110468733
N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide
CID 129331119
1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95736162
N-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide
CID 171673780
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide
CID 95302082
1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 51090766

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide (CID 67288688) is N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide is O=C(NN1CC2CCC1CC2)c1cccc2[nH]ncc12.
What is the InChIKey of N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide?
The InChIKey is MGZRNRRLKDMCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(12-2-1-3-14-13(12)8-16-17-14)18-19-9-10-4-6-11(19)7-5-10/h1-3,8,10-11H,4-7,9H2,(H,16,17)(H,18,20).
What are the key properties of N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide?
N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide is sourced from PubChem (CID 67288688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).