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

C23H26N6O — CID 58405723

IUPAC(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(C)cc3)nc2N1C1CCC1
InChIInChI=1S/C23H26N6O/c1-4-18-22(30)27(3)19-14-25-23(26-21(19)29(18)17-6-5-7-17)28-13-12-24-20(28)16-10-8-15(2)9-11-16/h8-14,17-18H,4-7H2,1-3H3/t18-/m1/s1
InChIKeySGRGTZFIPYESLD-GOSISDBHSA-N
MW402.50 g/mol
LogP3.75
Rot. Bonds4

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

(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one (PubChem CID 58405723) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one
PubChem CID58405723
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(C)cc3)nc2N1C1CCC1
InChIInChI=1S/C23H26N6O/c1-4-18-22(30)27(3)19-14-25-23(26-21(19)29(18)17-6-5-7-17)28-13-12-24-20(28)16-10-8-15(2)9-11-16/h8-14,17-18H,4-7H2,1-3H3/t18-/m1/s1
InChIKeySGRGTZFIPYESLD-GOSISDBHSA-N
XLogP3.75
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one (CID 58405723) is (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(C)cc3)nc2N1C1CCC1.
What is the InChIKey of (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one?
The InChIKey is SGRGTZFIPYESLD-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N6O/c1-4-18-22(30)27(3)19-14-25-23(26-21(19)29(18)17-6-5-7-17)28-13-12-24-20(28)16-10-8-15(2)9-11-16/h8-14,17-18H,4-7H2,1-3H3/t18-/m1/s1.
What are the key properties of (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one?
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one has a molecular weight of 402.50 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one is sourced from PubChem (CID 58405723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).