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

C25H27N3O — CID 72865657

IUPAC[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C25H27N3O/c29-25(24-13-20-7-3-4-8-23(20)26-24)28-15-17-9-10-21(28)16-27(14-17)22-11-18-5-1-2-6-19(18)12-22/h1-8,13,17,21-22,26H,9-12,14-16H2/t17-,21+/m0/s1
InChIKeyLEISVRGITGGVJS-LAUBAEHRSA-N
MW385.51 g/mol
LogP3.87
Rot. Bonds2

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

[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone (PubChem CID 72865657) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone
PubChem CID72865657
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C25H27N3O/c29-25(24-13-20-7-3-4-8-23(20)26-24)28-15-17-9-10-21(28)16-27(14-17)22-11-18-5-1-2-6-19(18)12-22/h1-8,13,17,21-22,26H,9-12,14-16H2/t17-,21+/m0/s1
InChIKeyLEISVRGITGGVJS-LAUBAEHRSA-N
XLogP3.87
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

[(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
[(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
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
1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95727435
[(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
(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
1-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylsulfanylethanone
CID 70758751
[(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
[(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]-(4-methylpyrimidin-5-yl)methanone
CID 70754308
[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1H-indol-2-yl)methanone
CID 72840619
(2-bromopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 90014378

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [(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) is [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2.
What is the InChIKey of [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone?
The InChIKey is LEISVRGITGGVJS-LAUBAEHRSA-N. The full InChI is InChI=1S/C25H27N3O/c29-25(24-13-20-7-3-4-8-23(20)26-24)28-15-17-9-10-21(28)16-27(14-17)22-11-18-5-1-2-6-19(18)12-22/h1-8,13,17,21-22,26H,9-12,14-16H2/t17-,21+/m0/s1.
What are the key properties of [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone?
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone has a molecular weight of 385.51 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 72865657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).