[(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

C23H30N4O — CID 72892112

IUPAC[(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
SMILESCCn1nc(C)cc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C23H30N4O/c1-3-27-22(10-16(2)24-27)23(28)26-14-17-8-9-20(26)15-25(13-17)21-11-18-6-4-5-7-19(18)12-21/h4-7,10,17,20-21H,3,8-9,11-15H2,1-2H3/t17-,20+/m0/s1
InChIKeyYJMJIUFIVDIWGI-FXAWDEMLSA-N
MW378.52 g/mol
LogP2.92
Rot. Bonds3

About [(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

[(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 (PubChem CID 72892112) has the molecular formula C23H30N4O and a molecular weight of 378.52 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]-(2-ethyl-5-methylpyrazol-3-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]-(2-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID72892112
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name[(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
SMILESCCn1nc(C)cc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C23H30N4O/c1-3-27-22(10-16(2)24-27)23(28)26-14-17-8-9-20(26)15-25(13-17)21-11-18-6-4-5-7-19(18)12-21/h4-7,10,17,20-21H,3,8-9,11-15H2,1-2H3/t17-,20+/m0/s1
InChIKeyYJMJIUFIVDIWGI-FXAWDEMLSA-N
XLogP2.92
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethyl-5-methylpyrazol-3-yl)-[(1S,5R)-3-(3-phenylpropyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 72843337
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]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 72911122
[(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
[(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
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
(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]-(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]-(1H-indazol-3-yl)methanone
CID 72843968
(2-ethyl-5-methylpyrazol-3-yl)-[(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 56903831

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]-(2-ethyl-5-methylpyrazol-3-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]-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 72892112) is [(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.
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]-(2-ethyl-5-methylpyrazol-3-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]-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C)cc1C(=O)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]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is YJMJIUFIVDIWGI-FXAWDEMLSA-N. The full InChI is InChI=1S/C23H30N4O/c1-3-27-22(10-16(2)24-27)23(28)26-14-17-8-9-20(26)15-25(13-17)21-11-18-6-4-5-7-19(18)12-21/h4-7,10,17,20-21H,3,8-9,11-15H2,1-2H3/t17-,20+/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]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
[(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 has a molecular weight of 378.52 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 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]-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 72892112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).