1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]

C17H19N3 — CID 131669706

IUPAC1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
SMILESc1ccc(CN2CC3(CCNC3)c3ncccc32)cc1
InChIInChI=1S/C17H19N3/c1-2-5-14(6-3-1)11-20-13-17(8-10-18-12-17)16-15(20)7-4-9-19-16/h1-7,9,18H,8,10-13H2
InChIKeyORIZBTQLEPJKPO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.33
Rot. Bonds2

About 1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]

1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] (PubChem CID 131669706) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine].

Molecular Properties

Compound Name1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
PubChem CID131669706
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
SMILESc1ccc(CN2CC3(CCNC3)c3ncccc32)cc1
InChIInChI=1S/C17H19N3/c1-2-5-14(6-3-1)11-20-13-17(8-10-18-12-17)16-15(20)7-4-9-19-16/h1-7,9,18H,8,10-13H2
InChIKeyORIZBTQLEPJKPO-UHFFFAOYSA-N
XLogP2.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
CID 131669703
1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine]
CID 83980538
1-(1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
CID 171693310
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
CID 131672294
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'-(cyclopropylmethyl)-1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
CID 131669737
(3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one
CID 137378618
1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]
CID 82626814
N,N-dimethyl-1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-sulfonamide
CID 131669740
3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one
CID 83894911
3-methyl-1-[1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]butan-1-one
CID 131669738

Frequently Asked Questions

What is the IUPAC name of 1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]?
The IUPAC name of 1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] (CID 131669706) is 1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine].
What is the SMILES notation for 1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]?
The canonical SMILES for 1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] is c1ccc(CN2CC3(CCNC3)c3ncccc32)cc1.
What is the InChIKey of 1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]?
The InChIKey is ORIZBTQLEPJKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-5-14(6-3-1)11-20-13-17(8-10-18-12-17)16-15(20)7-4-9-19-16/h1-7,9,18H,8,10-13H2.
What are the key properties of 1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]?
1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] has a molecular weight of 265.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] is sourced from PubChem (CID 131669706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).