(1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one

C23H26N4O — CID 70782840

IUPAC(1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILESCc1ccn2cc(CN3C[C@@H]4CC[C@H](C3)N(Cc3ccccc3)C4=O)nc2c1
InChIInChI=1S/C23H26N4O/c1-17-9-10-26-15-20(24-22(26)11-17)14-25-13-19-7-8-21(16-25)27(23(19)28)12-18-5-3-2-4-6-18/h2-6,9-11,15,19,21H,7-8,12-14,16H2,1H3/t19-,21+/m0/s1
InChIKeyHHEAQSVEWSVRPJ-PZJWPPBQSA-N
MW374.49 g/mol
LogP3.27
Rot. Bonds4

About (1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one

(1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one (PubChem CID 70782840) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one.

Molecular Properties

Compound Name(1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
PubChem CID70782840
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILESCc1ccn2cc(CN3C[C@@H]4CC[C@H](C3)N(Cc3ccccc3)C4=O)nc2c1
InChIInChI=1S/C23H26N4O/c1-17-9-10-26-15-20(24-22(26)11-17)14-25-13-19-7-8-21(16-25)27(23(19)28)12-18-5-3-2-4-6-18/h2-6,9-11,15,19,21H,7-8,12-14,16H2,1H3/t19-,21+/m0/s1
InChIKeyHHEAQSVEWSVRPJ-PZJWPPBQSA-N
XLogP3.27
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one with MolForge

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Related Compounds

(1S,5R)-6-benzyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72914690
2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 72844762
(3S)-8-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97286307
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
1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 42479784
methyl (1R,5S)-6-benzyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate
CID 133126218
(2R,3S,6R)-5-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56903207
1-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 82530138
(1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133119338
(1S,5R)-3-(1-acetylpiperidine-4-carbonyl)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70746571
(1R,5S)-6-benzyl-3-(2-methylthieno[2,3-d]pyrimidin-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133134401
(1S,5R)-6-benzyl-3-(1,4-dithiepan-6-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70783205

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
The IUPAC name of (1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one (CID 70782840) is (1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one.
What is the SMILES notation for (1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
The canonical SMILES for (1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one is Cc1ccn2cc(CN3C[C@@H]4CC[C@H](C3)N(Cc3ccccc3)C4=O)nc2c1.
What is the InChIKey of (1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
The InChIKey is HHEAQSVEWSVRPJ-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-9-10-26-15-20(24-22(26)11-17)14-25-13-19-7-8-21(16-25)27(23(19)28)12-18-5-3-2-4-6-18/h2-6,9-11,15,19,21H,7-8,12-14,16H2,1H3/t19-,21+/m0/s1.
What are the key properties of (1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
(1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one has a molecular weight of 374.49 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-benzyl-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one is sourced from PubChem (CID 70782840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).