N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine

C16H22N6O — CID 137104809

IUPACN-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine
SMILESCN1CCC2(CC1)Nc1cn(C)nc1N/C2=N\Cc1ccco1
InChIInChI=1S/C16H22N6O/c1-21-7-5-16(6-8-21)15(17-10-12-4-3-9-23-12)18-14-13(19-16)11-22(2)20-14/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,17,18,20)
InChIKeyABWMLVOSZDFCEL-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.91
Rot. Bonds2

About N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine

N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine (PubChem CID 137104809) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine
PubChem CID137104809
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine
SMILESCN1CCC2(CC1)Nc1cn(C)nc1N/C2=N\Cc1ccco1
InChIInChI=1S/C16H22N6O/c1-21-7-5-16(6-8-21)15(17-10-12-4-3-9-23-12)18-14-13(19-16)11-22(2)20-14/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,17,18,20)
InChIKeyABWMLVOSZDFCEL-UHFFFAOYSA-N
XLogP1.91
TPSA70.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine
CID 157193126
N-[(3-chlorophenyl)methyl]-5,5-difluoro-1'-methylspiro[4,6-dioxa-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-12,4'-piperidine]-11-imine;ethane
CID 145079245
N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 157408737
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
2-[7-chloro-1'-methyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-6-yl]oxy-N,N-dimethylethanamine
CID 145079274
N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine
CID 135983993
2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one
CID 137292355
N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine
CID 21317040
N-[(2,3-dimethylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 137105092
[3-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-methylpyrazol-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 29097638
4-[2-(furan-2-yl)ethyl]-1-methylpiperidine
CID 23800356
2-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylpropyl)guanidine
CID 110051686

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine?
The IUPAC name of N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine (CID 137104809) is N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine?
The canonical SMILES for N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine is CN1CCC2(CC1)Nc1cn(C)nc1N/C2=N\Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine?
The InChIKey is ABWMLVOSZDFCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-21-7-5-16(6-8-21)15(17-10-12-4-3-9-23-12)18-14-13(19-16)11-22(2)20-14/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,17,18,20).
What are the key properties of N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine?
N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine has a molecular weight of 314.39 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine is sourced from PubChem (CID 137104809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).