2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine

C24H28N6O — CID 68950619

IUPAC2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine
SMILESCCC(C)C1N=C2C(CCCN=C(N)N)=NC(c3ccc4ccccc4c3)=CN2C1=O
InChIInChI=1S/C24H28N6O/c1-3-15(2)21-23(31)30-14-20(18-11-10-16-7-4-5-8-17(16)13-18)28-19(22(30)29-21)9-6-12-27-24(25)26/h4-5,7-8,10-11,13-15,21H,3,6,9,12H2,1-2H3,(H4,25,26,27)
InChIKeyOLFNFOXTYVOPCC-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.30
Rot. Bonds7

About 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine

2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine (PubChem CID 68950619) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine.

Molecular Properties

Compound Name2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine
PubChem CID68950619
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine
SMILESCCC(C)C1N=C2C(CCCN=C(N)N)=NC(c3ccc4ccccc4c3)=CN2C1=O
InChIInChI=1S/C24H28N6O/c1-3-15(2)21-23(31)30-14-20(18-11-10-16-7-4-5-8-17(16)13-18)28-19(22(30)29-21)9-6-12-27-24(25)26/h4-5,7-8,10-11,13-15,21H,3,6,9,12H2,1-2H3,(H4,25,26,27)
InChIKeyOLFNFOXTYVOPCC-UHFFFAOYSA-N
XLogP3.30
TPSA109.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine?
The IUPAC name of 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine (CID 68950619) is 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine.
What is the SMILES notation for 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine?
The canonical SMILES for 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine is CCC(C)C1N=C2C(CCCN=C(N)N)=NC(c3ccc4ccccc4c3)=CN2C1=O.
What is the InChIKey of 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine?
The InChIKey is OLFNFOXTYVOPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-3-15(2)21-23(31)30-14-20(18-11-10-16-7-4-5-8-17(16)13-18)28-19(22(30)29-21)9-6-12-27-24(25)26/h4-5,7-8,10-11,13-15,21H,3,6,9,12H2,1-2H3,(H4,25,26,27).
What are the key properties of 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine?
2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine has a molecular weight of 416.53 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-butan-2-yl-6-naphthalen-2-yl-3-oxo-2H-imidazo[1,2-a]pyrazin-8-yl)propyl]guanidine is sourced from PubChem (CID 68950619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).