bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone

C27H24N6O — CID 174701609

IUPACbis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone
SMILESO=C(N1CC(c2nccnc2-c2ccccc2)C1)N1CC(c2nccnc2-c2ccccc2)C1
InChIInChI=1S/C27H24N6O/c34-27(32-15-21(16-32)25-23(28-11-13-30-25)19-7-3-1-4-8-19)33-17-22(18-33)26-24(29-12-14-31-26)20-9-5-2-6-10-20/h1-14,21-22H,15-18H2
InChIKeyGYWAWLBEEWVSES-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.22
Rot. Bonds4

About bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone

bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone (PubChem CID 174701609) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Namebis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone
PubChem CID174701609
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Namebis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone
SMILESO=C(N1CC(c2nccnc2-c2ccccc2)C1)N1CC(c2nccnc2-c2ccccc2)C1
InChIInChI=1S/C27H24N6O/c34-27(32-15-21(16-32)25-23(28-11-13-30-25)19-7-3-1-4-8-19)33-17-22(18-33)26-24(29-12-14-31-26)20-9-5-2-6-10-20/h1-14,21-22H,15-18H2
InChIKeyGYWAWLBEEWVSES-UHFFFAOYSA-N
XLogP4.22
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis[3-(3-phenylpyrazin-2-yl)azetidin-1-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

[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818693
tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
CID 58547634
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole
CID 58547313
3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde
CID 174701604
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 110254922
methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate
CID 58547607
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819091
cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819187
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110255036
cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819177
3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818592

Frequently Asked Questions

What is the IUPAC name of bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone?
The IUPAC name of bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone (CID 174701609) is bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone.
What is the SMILES notation for bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone?
The canonical SMILES for bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone is O=C(N1CC(c2nccnc2-c2ccccc2)C1)N1CC(c2nccnc2-c2ccccc2)C1.
What is the InChIKey of bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone?
The InChIKey is GYWAWLBEEWVSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c34-27(32-15-21(16-32)25-23(28-11-13-30-25)19-7-3-1-4-8-19)33-17-22(18-33)26-24(29-12-14-31-26)20-9-5-2-6-10-20/h1-14,21-22H,15-18H2.
What are the key properties of bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone?
bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone has a molecular weight of 448.53 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 174701609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).