8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one

C22H22Cl2N6O — CID 67369748

IUPAC8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(-n3ccnc3-c3cc(Cl)cc(Cl)c3)nc2N1C1CCC1
InChIInChI=1S/C22H22Cl2N6O/c1-3-17-21(31)28(2)18-12-26-22(27-20(18)30(17)16-5-4-6-16)29-8-7-25-19(29)13-9-14(23)11-15(24)10-13/h7-12,16-17H,3-6H2,1-2H3
InChIKeyDFRWYUWCVGQPLD-UHFFFAOYSA-N
MW457.37 g/mol
LogP4.75
Rot. Bonds4

About 8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one

8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one (PubChem CID 67369748) has the molecular formula C22H22Cl2N6O and a molecular weight of 457.37 g/mol. Its IUPAC name is 8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one
PubChem CID67369748
Molecular FormulaC22H22Cl2N6O
Molecular Weight457.37 g/mol
Exact Mass456.12
IUPAC Name8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(-n3ccnc3-c3cc(Cl)cc(Cl)c3)nc2N1C1CCC1
InChIInChI=1S/C22H22Cl2N6O/c1-3-17-21(31)28(2)18-12-26-22(27-20(18)30(17)16-5-4-6-16)29-8-7-25-19(29)13-9-14(23)11-15(24)10-13/h7-12,16-17H,3-6H2,1-2H3
InChIKeyDFRWYUWCVGQPLD-UHFFFAOYSA-N
XLogP4.75
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one with MolForge

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Related Compounds

(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405723
8-cyclobutyl-7-ethyl-5-methyl-2-(2-pyridin-4-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67372003
5-cyclobutyl-3-[2-(3,5-dichlorophenyl)imidazol-1-yl]-6-ethyl-8,11-dimethyl-8,9-dihydro-6H-[1,3]diazepino[1,2-f]pteridine
CID 123350271
7-ethyl-5-methyl-8-(oxan-4-yl)-2-(2-pyridin-4-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67261650
8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67261320
(7R)-7-ethyl-5-methyl-8-(oxetan-3-yl)-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
CID 58405849
8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 67261461
8-cyclopentyl-7-ethyl-5-methyl-2-(2-pyrazol-1-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67260508
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405488
8-(3,3-difluorocyclopentyl)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one
CID 71602777
(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane
CID 158806567
8-amino-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one;hydrochloride
CID 67260078

Frequently Asked Questions

What is the IUPAC name of 8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one?
The IUPAC name of 8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one (CID 67369748) is 8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one.
What is the SMILES notation for 8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one?
The canonical SMILES for 8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(-n3ccnc3-c3cc(Cl)cc(Cl)c3)nc2N1C1CCC1.
What is the InChIKey of 8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one?
The InChIKey is DFRWYUWCVGQPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N6O/c1-3-17-21(31)28(2)18-12-26-22(27-20(18)30(17)16-5-4-6-16)29-8-7-25-19(29)13-9-14(23)11-15(24)10-13/h7-12,16-17H,3-6H2,1-2H3.
What are the key properties of 8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one?
8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one has a molecular weight of 457.37 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 67369748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).