2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine

C23H28N4 — CID 72844762

IUPAC2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine
SMILESCc1ccc2nc(CN3C[C@H]4CC[C@@H]3CN(Cc3ccccc3)C4)cn2c1
InChIInChI=1S/C23H28N4/c1-18-7-10-23-24-21(16-27(23)11-18)15-26-14-20-8-9-22(26)17-25(13-20)12-19-5-3-2-4-6-19/h2-7,10-11,16,20,22H,8-9,12-15,17H2,1H3/t20-,22+/m0/s1
InChIKeyBSWPFBFJZDZEHH-RBBKRZOGSA-N
MW360.50 g/mol
LogP3.74
Rot. Bonds4

About 2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine

2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine (PubChem CID 72844762) has the molecular formula C23H28N4 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine
PubChem CID72844762
Molecular FormulaC23H28N4
Molecular Weight360.50 g/mol
Exact Mass360.23
IUPAC Name2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine
SMILESCc1ccc2nc(CN3C[C@H]4CC[C@@H]3CN(Cc3ccccc3)C4)cn2c1
InChIInChI=1S/C23H28N4/c1-18-7-10-23-24-21(16-27(23)11-18)15-26-14-20-8-9-22(26)17-25(13-20)12-19-5-3-2-4-6-19/h2-7,10-11,16,20,22H,8-9,12-15,17H2,1H3/t20-,22+/m0/s1
InChIKeyBSWPFBFJZDZEHH-RBBKRZOGSA-N
XLogP3.74
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,5R)-3-benzyl-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72866424
(1S,5R)-3-benzyl-6-[(5-ethyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72892585
(1S,5R)-6-benzyl-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 70723250
(1R,5S)-3-benzyl-6-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74240576
(1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72923876
3,5-dimethyl-4-[[(1S,5R)-6-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2-oxazole
CID 72864834
2-[[(1S,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 72847658
(1R,5S)-6-benzyl-3-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133127610
(1R,5S)-6-benzyl-3-[(5-methylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133138317
5-[[(1S,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-methyl-1,2-oxazole
CID 72844794
6-benzyl-3-[(1,5-dimethylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 156603160
(1S,5R)-6-benzyl-3-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 70725089

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine (CID 72844762) is 2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine is Cc1ccc2nc(CN3C[C@H]4CC[C@@H]3CN(Cc3ccccc3)C4)cn2c1.
What is the InChIKey of 2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine?
The InChIKey is BSWPFBFJZDZEHH-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H28N4/c1-18-7-10-23-24-21(16-27(23)11-18)15-26-14-20-8-9-22(26)17-25(13-20)12-19-5-3-2-4-6-19/h2-7,10-11,16,20,22H,8-9,12-15,17H2,1H3/t20-,22+/m0/s1.
What are the key properties of 2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine?
2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine has a molecular weight of 360.50 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 72844762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).