N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide

C20H22N4O — CID 15951405

IUPACN'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide
SMILESN/C(=N\c1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1ccco1
InChIInChI=1S/C20H22N4O/c21-20(19-2-1-9-25-19)23-14-3-4-18-15(10-14)16(11-22-18)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
InChIKeyZPALVTAUXXCYMC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.61
Rot. Bonds3

About N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide

N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide (PubChem CID 15951405) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide
PubChem CID15951405
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide
SMILESN/C(=N\c1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1ccco1
InChIInChI=1S/C20H22N4O/c21-20(19-2-1-9-25-19)23-14-3-4-18-15(10-14)16(11-22-18)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
InChIKeyZPALVTAUXXCYMC-UHFFFAOYSA-N
XLogP3.61
TPSA70.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide
CID 142782455
[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl] acetate
CID 15157701
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123724688
N'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide
CID 143475935
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 58415976
N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 15951336
1-azabicyclo[2.2.2]octan-3-yl furan-2-carboxylate
CID 3900634
N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 159028072
4-(1-azabicyclo[2.2.2]octan-3-yl)benzene-1,3-diamine
CID 69198367
1-(5-fluoro-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 113208080
[(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone
CID 124787875
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide?
The IUPAC name of N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide (CID 15951405) is N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide.
What is the SMILES notation for N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide?
The canonical SMILES for N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide is N/C(=N\c1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1ccco1.
What is the InChIKey of N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide?
The InChIKey is ZPALVTAUXXCYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-20(19-2-1-9-25-19)23-14-3-4-18-15(10-14)16(11-22-18)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23).
What are the key properties of N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide?
N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide has a molecular weight of 334.42 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide is sourced from PubChem (CID 15951405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).