2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine

C22H18N6O — CID 50952225

IUPAC2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine
SMILESCc1cnc(Cn2cnc(-c3ccccc3)c2-c2ccc(-c3ccn[nH]3)o2)cn1
InChIInChI=1S/C22H18N6O/c1-15-11-24-17(12-23-15)13-28-14-25-21(16-5-3-2-4-6-16)22(28)20-8-7-19(29-20)18-9-10-26-27-18/h2-12,14H,13H2,1H3,(H,26,27)
InChIKeyVPJQLTJOGVWMGD-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.35
Rot. Bonds5

About 2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine

2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine (PubChem CID 50952225) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine
PubChem CID50952225
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine
SMILESCc1cnc(Cn2cnc(-c3ccccc3)c2-c2ccc(-c3ccn[nH]3)o2)cn1
InChIInChI=1S/C22H18N6O/c1-15-11-24-17(12-23-15)13-28-14-25-21(16-5-3-2-4-6-16)22(28)20-8-7-19(29-20)18-9-10-26-27-18/h2-12,14H,13H2,1H3,(H,26,27)
InChIKeyVPJQLTJOGVWMGD-UHFFFAOYSA-N
XLogP4.35
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine?
The IUPAC name of 2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine (CID 50952225) is 2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine?
The canonical SMILES for 2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine is Cc1cnc(Cn2cnc(-c3ccccc3)c2-c2ccc(-c3ccn[nH]3)o2)cn1.
What is the InChIKey of 2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine?
The InChIKey is VPJQLTJOGVWMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-15-11-24-17(12-23-15)13-28-14-25-21(16-5-3-2-4-6-16)22(28)20-8-7-19(29-20)18-9-10-26-27-18/h2-12,14H,13H2,1H3,(H,26,27).
What are the key properties of 2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine?
2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine has a molecular weight of 382.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine is sourced from PubChem (CID 50952225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).