N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide

C21H28N4O — CID 67231262

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1n[nH]c2cc(C3CCCCC3)ccc12
InChIInChI=1S/C21H28N4O/c26-21(22-19-13-25-10-8-15(19)9-11-25)20-17-7-6-16(12-18(17)23-24-20)14-4-2-1-3-5-14/h6-7,12,14-15,19H,1-5,8-11,13H2,(H,22,26)(H,23,24)
InChIKeyNHBIKYDGGQGHNW-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.43
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide (PubChem CID 67231262) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide
PubChem CID67231262
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1n[nH]c2cc(C3CCCCC3)ccc12
InChIInChI=1S/C21H28N4O/c26-21(22-19-13-25-10-8-15(19)9-11-25)20-17-7-6-16(12-18(17)23-24-20)14-4-2-1-3-5-14/h6-7,12,14-15,19H,1-5,8-11,13H2,(H,22,26)(H,23,24)
InChIKeyNHBIKYDGGQGHNW-UHFFFAOYSA-N
XLogP3.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-phenyl-1H-indazole-3-carboxamide
CID 10363115
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethynyl-1H-indazole-3-carboxamide
CID 73069346
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride
CID 67229737
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-cyclohexyl-1H-indazol-3-yl)ethanone;formic acid
CID 160778490
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide
CID 66636210
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide
CID 58578011
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(2-bromoethyl)-1H-indazole-3-carboxamide
CID 68600959
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(1-bromocyclopropyl)-1H-indazole-3-carboxamide
CID 69111946
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(difluoromethoxy)-1H-indazole-3-carboxamide
CID 11631406
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1H-indazole-3-carboxamide;hydrobromide
CID 67230292
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxyamino)-1H-indazole-3-carboxamide
CID 91108211
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-1H-indazole-3-carboxamide
CID 11544830

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide (CID 67231262) is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide is O=C(NC1CN2CCC1CC2)c1n[nH]c2cc(C3CCCCC3)ccc12.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide?
The InChIKey is NHBIKYDGGQGHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-21(22-19-13-25-10-8-15(19)9-11-25)20-17-7-6-16(12-18(17)23-24-20)14-4-2-1-3-5-14/h6-7,12,14-15,19H,1-5,8-11,13H2,(H,22,26)(H,23,24).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.43, 3 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)-6-cyclohexyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 67231262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).