2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

C23H27N3O — CID 72855146

IUPAC2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
SMILESO=C(c1ccc2c(c1)CCC2)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2
InChIInChI=1S/C23H27N3O/c27-23(20-9-8-18-4-3-5-19(18)12-20)26-14-17-7-10-22(16-26)25(13-17)15-21-6-1-2-11-24-21/h1-2,6,8-9,11-12,17,22H,3-5,7,10,13-16H2/t17-,22-/m1/s1
InChIKeyHOZLMRGWFMCHSJ-VGOFRKELSA-N
MW361.49 g/mol
LogP3.31
Rot. Bonds3

About 2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (PubChem CID 72855146) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
PubChem CID72855146
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
SMILESO=C(c1ccc2c(c1)CCC2)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2
InChIInChI=1S/C23H27N3O/c27-23(20-9-8-18-4-3-5-19(18)12-20)26-14-17-7-10-22(16-26)25(13-17)15-21-6-1-2-11-24-21/h1-2,6,8-9,11-12,17,22H,3-5,7,10,13-16H2/t17-,22-/m1/s1
InChIKeyHOZLMRGWFMCHSJ-VGOFRKELSA-N
XLogP3.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-quinolin-6-ylmethanone
CID 72898202
(2-methyl-1-benzofuran-5-yl)-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72934147
(2-methyl-3H-benzimidazol-5-yl)-[(1S,5S)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133119419
2-(2-chlorophenyl)-1-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone
CID 72916775
(2-amino-4-pyridinyl)-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72866577
[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-quinoxalin-6-ylmethanone
CID 72881858
(1R,5R)-N-(3,4-dimethylphenyl)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72913773
2,3-dihydro-1H-inden-5-yl-(3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone
CID 156605785
3-[(1S,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propanamide
CID 72895868
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422
[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(3-chloro-4-fluorophenyl)methanone
CID 133110419
[4-(pyridine-2-carbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 38786418

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (CID 72855146) is 2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is O=C(c1ccc2c(c1)CCC2)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The InChIKey is HOZLMRGWFMCHSJ-VGOFRKELSA-N. The full InChI is InChI=1S/C23H27N3O/c27-23(20-9-8-18-4-3-5-19(18)12-20)26-14-17-7-10-22(16-26)25(13-17)15-21-6-1-2-11-24-21/h1-2,6,8-9,11-12,17,22H,3-5,7,10,13-16H2/t17-,22-/m1/s1.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is sourced from PubChem (CID 72855146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).