[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

C22H29N3O — CID 133115439

IUPAC[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESO=C(C1[C@H]2CNC[C@@H]12)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C22H29N3O/c26-22(21-19-9-23-10-20(19)21)25-12-14-5-6-17(25)13-24(11-14)18-7-15-3-1-2-4-16(15)8-18/h1-4,14,17-21,23H,5-13H2/t14-,17+,19-,20+,21?/m1/s1
InChIKeyDTDMZPTURBXCSP-AARVCACBSA-N
MW351.49 g/mol
LogP1.54
Rot. Bonds2

About [(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (PubChem CID 133115439) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is [(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.

Molecular Properties

Compound Name[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
PubChem CID133115439
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESO=C(C1[C@H]2CNC[C@@H]12)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C22H29N3O/c26-22(21-19-9-23-10-20(19)21)25-12-14-5-6-17(25)13-24(11-14)18-7-15-3-1-2-4-16(15)8-18/h1-4,14,17-21,23H,5-13H2/t14-,17+,19-,20+,21?/m1/s1
InChIKeyDTDMZPTURBXCSP-AARVCACBSA-N
XLogP1.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone with MolForge

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Related Compounds

5-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]-1H-pyrazin-2-one
CID 70711821
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-pyrrol-2-yl)methanone
CID 72928172
1-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylsulfanylethanone
CID 70758751
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone
CID 72865657
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 70740192
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indazol-3-yl)methanone
CID 72843968
(3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 164636398
(2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70788294
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone
CID 70754308
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 72911122
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1S,5R)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone;dihydrochloride
CID 154898848
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 72892112

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The IUPAC name of [(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (CID 133115439) is [(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.
What is the SMILES notation for [(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The canonical SMILES for [(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is O=C(C1[C@H]2CNC[C@@H]12)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2.
What is the InChIKey of [(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The InChIKey is DTDMZPTURBXCSP-AARVCACBSA-N. The full InChI is InChI=1S/C22H29N3O/c26-22(21-19-9-23-10-20(19)21)25-12-14-5-6-17(25)13-24(11-14)18-7-15-3-1-2-4-16(15)8-18/h1-4,14,17-21,23H,5-13H2/t14-,17+,19-,20+,21?/m1/s1.
What are the key properties of [(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone has a molecular weight of 351.49 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is sourced from PubChem (CID 133115439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).