(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one

C22H23FN6O2 — CID 71602780

IUPAC(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1[C@H]1CCOC1
InChIInChI=1S/C22H23FN6O2/c1-3-17-21(30)27(2)18-12-25-22(26-20(18)29(17)16-8-11-31-13-16)28-10-9-24-19(28)14-4-6-15(23)7-5-14/h4-7,9-10,12,16-17H,3,8,11,13H2,1-2H3/t16-,17+/m0/s1
InChIKeyHXPKCEXQOBXOIS-DLBZAZTESA-N
MW422.46 g/mol
LogP2.82
Rot. Bonds4

About (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one

(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one (PubChem CID 71602780) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one
PubChem CID71602780
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1[C@H]1CCOC1
InChIInChI=1S/C22H23FN6O2/c1-3-17-21(30)27(2)18-12-25-22(26-20(18)29(17)16-8-11-31-13-16)28-10-9-24-19(28)14-4-6-15(23)7-5-14/h4-7,9-10,12,16-17H,3,8,11,13H2,1-2H3/t16-,17+/m0/s1
InChIKeyHXPKCEXQOBXOIS-DLBZAZTESA-N
XLogP2.82
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one?
The IUPAC name of (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one (CID 71602780) is (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one.
What is the SMILES notation for (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one?
The canonical SMILES for (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1[C@H]1CCOC1.
What is the InChIKey of (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one?
The InChIKey is HXPKCEXQOBXOIS-DLBZAZTESA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-3-17-21(30)27(2)18-12-25-22(26-20(18)29(17)16-8-11-31-13-16)28-10-9-24-19(28)14-4-6-15(23)7-5-14/h4-7,9-10,12,16-17H,3,8,11,13H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one?
(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one has a molecular weight of 422.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one is sourced from PubChem (CID 71602780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).