7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one

C24H20F2N6O — CID 58405571

IUPAC7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccc(F)cc1
InChIInChI=1S/C24H20F2N6O/c1-3-19-23(33)30(2)20-14-28-24(29-22(20)32(19)18-10-8-17(26)9-11-18)31-13-12-27-21(31)15-4-6-16(25)7-5-15/h4-14,19H,3H2,1-2H3
InChIKeyQWAKOUIKNVQHES-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.50
Rot. Bonds4

About 7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one

7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one (PubChem CID 58405571) has the molecular formula C24H20F2N6O and a molecular weight of 446.46 g/mol. Its IUPAC name is 7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one
PubChem CID58405571
Molecular FormulaC24H20F2N6O
Molecular Weight446.46 g/mol
Exact Mass446.17
IUPAC Name7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccc(F)cc1
InChIInChI=1S/C24H20F2N6O/c1-3-19-23(33)30(2)20-14-28-24(29-22(20)32(19)18-10-8-17(26)9-11-18)31-13-12-27-21(31)15-4-6-16(25)7-5-15/h4-14,19H,3H2,1-2H3
InChIKeyQWAKOUIKNVQHES-UHFFFAOYSA-N
XLogP4.50
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one?
The IUPAC name of 7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one (CID 58405571) is 7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one.
What is the SMILES notation for 7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one?
The canonical SMILES for 7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccc(F)cc1.
What is the InChIKey of 7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one?
The InChIKey is QWAKOUIKNVQHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O/c1-3-19-23(33)30(2)20-14-28-24(29-22(20)32(19)18-10-8-17(26)9-11-18)31-13-12-27-21(31)15-4-6-16(25)7-5-15/h4-14,19H,3H2,1-2H3.
What are the key properties of 7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one?
7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one has a molecular weight of 446.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 58405571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).