(3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone

C21H22N6O — CID 156603701

IUPAC(3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccccc1-n1cccn1)N1CC2CCC1CN(c1cnccn1)C2
InChIInChI=1S/C21H22N6O/c28-21(18-4-1-2-5-19(18)27-11-3-8-24-27)26-14-16-6-7-17(26)15-25(13-16)20-12-22-9-10-23-20/h1-5,8-12,16-17H,6-7,13-15H2
InChIKeyBYCHHHXUDSUKTL-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.40
Rot. Bonds3

About (3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone

(3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone (PubChem CID 156603701) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is (3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone
PubChem CID156603701
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name(3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccccc1-n1cccn1)N1CC2CCC1CN(c1cnccn1)C2
InChIInChI=1S/C21H22N6O/c28-21(18-4-1-2-5-19(18)27-11-3-8-24-27)26-14-16-6-7-17(26)15-25(13-16)20-12-22-9-10-23-20/h1-5,8-12,16-17H,6-7,13-15H2
InChIKeyBYCHHHXUDSUKTL-UHFFFAOYSA-N
XLogP2.40
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1H-imidazol-2-yl)phenyl]-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70749127
[(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
[(1S,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 72877934
1-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-4-ylsulfanylethanone
CID 70714521
(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
(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
(2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone
CID 71877253
(1R,2S,5S)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 57489362
[8-(4,6-dimethylpyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 121371991
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95736225
methyl (2R,4S)-4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-2-carboxylate
CID 50948259
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 110022944

Frequently Asked Questions

What is the IUPAC name of (3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone?
The IUPAC name of (3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone (CID 156603701) is (3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for (3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for (3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone is O=C(c1ccccc1-n1cccn1)N1CC2CCC1CN(c1cnccn1)C2.
What is the InChIKey of (3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone?
The InChIKey is BYCHHHXUDSUKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c28-21(18-4-1-2-5-19(18)27-11-3-8-24-27)26-14-16-6-7-17(26)15-25(13-16)20-12-22-9-10-23-20/h1-5,8-12,16-17H,6-7,13-15H2.
What are the key properties of (3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone?
(3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone has a molecular weight of 374.45 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 156603701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).