1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine]

C17H21N3 — CID 68575735

IUPAC1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine]
SMILESc1ccc(CN2CCC3(CCCn4cncc43)C2)cc1
InChIInChI=1S/C17H21N3/c1-2-5-15(6-3-1)12-19-10-8-17(13-19)7-4-9-20-14-18-11-16(17)20/h1-3,5-6,11,14H,4,7-10,12-13H2
InChIKeyMOUDVYVBYCXFPL-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.82
Rot. Bonds2

About 1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine]

1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine] (PubChem CID 68575735) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine].

Molecular Properties

Compound Name1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine]
PubChem CID68575735
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine]
SMILESc1ccc(CN2CCC3(CCCn4cncc43)C2)cc1
InChIInChI=1S/C17H21N3/c1-2-5-15(6-3-1)12-19-10-8-17(13-19)7-4-9-20-14-18-11-16(17)20/h1-3,5-6,11,14H,4,7-10,12-13H2
InChIKeyMOUDVYVBYCXFPL-UHFFFAOYSA-N
XLogP2.82
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine]?
The IUPAC name of 1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine] (CID 68575735) is 1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine].
What is the SMILES notation for 1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine]?
The canonical SMILES for 1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine] is c1ccc(CN2CCC3(CCCn4cncc43)C2)cc1.
What is the InChIKey of 1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine]?
The InChIKey is MOUDVYVBYCXFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-5-15(6-3-1)12-19-10-8-17(13-19)7-4-9-20-14-18-11-16(17)20/h1-3,5-6,11,14H,4,7-10,12-13H2.
What are the key properties of 1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine]?
1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine] has a molecular weight of 267.38 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine] is sourced from PubChem (CID 68575735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).