1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one

C21H18N6O — CID 157487452

IUPAC1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
SMILESCc1cc(-c2cn(CC(=O)Cc3ccc(-c4cnccn4)cn3)cn2)ccn1
InChIInChI=1S/C21H18N6O/c1-15-8-16(4-5-23-15)21-13-27(14-26-21)12-19(28)9-18-3-2-17(10-25-18)20-11-22-6-7-24-20/h2-8,10-11,13-14H,9,12H2,1H3
InChIKeyHKSWCIKTVWEJDA-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.92
Rot. Bonds6

About 1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one

1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one (PubChem CID 157487452) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
PubChem CID157487452
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
SMILESCc1cc(-c2cn(CC(=O)Cc3ccc(-c4cnccn4)cn3)cn2)ccn1
InChIInChI=1S/C21H18N6O/c1-15-8-16(4-5-23-15)21-13-27(14-26-21)12-19(28)9-18-3-2-17(10-25-18)20-11-22-6-7-24-20/h2-8,10-11,13-14H,9,12H2,1H3
InChIKeyHKSWCIKTVWEJDA-UHFFFAOYSA-N
XLogP2.92
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The IUPAC name of 1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one (CID 157487452) is 1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one is Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4cnccn4)cn3)cn2)ccn1.
What is the InChIKey of 1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The InChIKey is HKSWCIKTVWEJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-15-8-16(4-5-23-15)21-13-27(14-26-21)12-19(28)9-18-3-2-17(10-25-18)20-11-22-6-7-24-20/h2-8,10-11,13-14H,9,12H2,1H3.
What are the key properties of 1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one has a molecular weight of 370.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 157487452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).