[2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

C21H22N6O — CID 70749127

IUPAC[2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESO=C(c1ccccc1-c1ncc[nH]1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2
InChIInChI=1S/C21H22N6O/c28-21(18-4-2-1-3-17(18)20-24-9-10-25-20)27-13-15-5-6-16(27)14-26(12-15)19-11-22-7-8-23-19/h1-4,7-11,15-16H,5-6,12-14H2,(H,24,25)/t15-,16+/m0/s1
InChIKeyHLPWTVOMNOWOBE-JKSUJKDBSA-N
MW374.45 g/mol
LogP2.61
Rot. Bonds3

About [2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

[2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (PubChem CID 70749127) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.

Molecular Properties

Compound Name[2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
PubChem CID70749127
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name[2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESO=C(c1ccccc1-c1ncc[nH]1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2
InChIInChI=1S/C21H22N6O/c28-21(18-4-2-1-3-17(18)20-24-9-10-25-20)27-13-15-5-6-16(27)14-26(12-15)19-11-22-7-8-23-19/h1-4,7-11,15-16H,5-6,12-14H2,(H,24,25)/t15-,16+/m0/s1
InChIKeyHLPWTVOMNOWOBE-JKSUJKDBSA-N
XLogP2.61
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone with MolForge

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Related Compounds

(3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone
CID 156603701
1-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-4-ylsulfanylethanone
CID 70714521
[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70769374
(3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 156605728
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70768045
[2-(1H-imidazol-2-yl)phenyl]-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 133138018
bis[2-(1H-imidazol-2-yl)phenyl]methanone
CID 57133504
[(1S,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 72877934
[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
CID 163308493
(2S)-4-[2-(1H-imidazol-2-yl)benzoyl]-1-methylpiperazine-2-carboxylic acid
CID 95206001
[(4aS,7aR)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
CID 133132394
[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 72842508

Frequently Asked Questions

What is the IUPAC name of [2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The IUPAC name of [2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (CID 70749127) is [2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.
What is the SMILES notation for [2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The canonical SMILES for [2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is O=C(c1ccccc1-c1ncc[nH]1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2.
What is the InChIKey of [2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The InChIKey is HLPWTVOMNOWOBE-JKSUJKDBSA-N. The full InChI is InChI=1S/C21H22N6O/c28-21(18-4-2-1-3-17(18)20-24-9-10-25-20)27-13-15-5-6-16(27)14-26(12-15)19-11-22-7-8-23-19/h1-4,7-11,15-16H,5-6,12-14H2,(H,24,25)/t15-,16+/m0/s1.
What are the key properties of [2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
[2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone has a molecular weight of 374.45 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is sourced from PubChem (CID 70749127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).