1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]

C22H23N3O — CID 131669703

IUPAC1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
SMILESc1ccc(CN2CC3(CCN(Cc4ccco4)C3)c3ncccc32)cc1
InChIInChI=1S/C22H23N3O/c1-2-6-18(7-3-1)14-25-17-22(21-20(25)9-4-11-23-21)10-12-24(16-22)15-19-8-5-13-26-19/h1-9,11,13H,10,12,14-17H2
InChIKeyLLQCXQYMFOAXGE-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.84
Rot. Bonds4

About 1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]

1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] (PubChem CID 131669703) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine].

Molecular Properties

Compound Name1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
PubChem CID131669703
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
SMILESc1ccc(CN2CC3(CCN(Cc4ccco4)C3)c3ncccc32)cc1
InChIInChI=1S/C22H23N3O/c1-2-6-18(7-3-1)14-25-17-22(21-20(25)9-4-11-23-21)10-12-24(16-22)15-19-8-5-13-26-19/h1-9,11,13H,10,12,14-17H2
InChIKeyLLQCXQYMFOAXGE-UHFFFAOYSA-N
XLogP3.84
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
CID 131672294
1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
CID 131669706
1'-(cyclopropylmethyl)-1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
CID 131669737
1-(1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
CID 171693310
1'-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid)
CID 171696011
3-phenyl-1-[1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]propan-1-one
CID 131672280
1-benzyl-1'-(furan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375659
(5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472155
8-(furan-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155838715
N,N-dimethyl-1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-sulfonamide
CID 131669740
(5-methylfuran-2-yl)-[1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 171694567
3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107321382

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]?
The IUPAC name of 1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] (CID 131669703) is 1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine].
What is the SMILES notation for 1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]?
The canonical SMILES for 1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] is c1ccc(CN2CC3(CCN(Cc4ccco4)C3)c3ncccc32)cc1.
What is the InChIKey of 1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]?
The InChIKey is LLQCXQYMFOAXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-6-18(7-3-1)14-25-17-22(21-20(25)9-4-11-23-21)10-12-24(16-22)15-19-8-5-13-26-19/h1-9,11,13H,10,12,14-17H2.
What are the key properties of 1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]?
1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] has a molecular weight of 345.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] is sourced from PubChem (CID 131669703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).