(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one

C18H21F3N6O — CID 58405534

IUPAC(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3C(F)(F)F)nc2N1C1CCCC1
InChIInChI=1S/C18H21F3N6O/c1-3-12-15(28)25(2)13-10-23-17(26-9-8-22-16(26)18(19,20)21)24-14(13)27(12)11-6-4-5-7-11/h8-12H,3-7H2,1-2H3/t12-/m1/s1
InChIKeyVCVOAWFUFOPIDR-GFCCVEGCSA-N
MW394.40 g/mol
LogP3.19
Rot. Bonds3

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

(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one (PubChem CID 58405534) has the molecular formula C18H21F3N6O and a molecular weight of 394.40 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one
PubChem CID58405534
Molecular FormulaC18H21F3N6O
Molecular Weight394.40 g/mol
Exact Mass394.17
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3C(F)(F)F)nc2N1C1CCCC1
InChIInChI=1S/C18H21F3N6O/c1-3-12-15(28)25(2)13-10-23-17(26-9-8-22-16(26)18(19,20)21)24-14(13)27(12)11-6-4-5-7-11/h8-12H,3-7H2,1-2H3/t12-/m1/s1
InChIKeyVCVOAWFUFOPIDR-GFCCVEGCSA-N
XLogP3.19
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one with MolForge

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Related Compounds

(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-7,8-Dihydropteridin-6(5h)-One
CID 71739407
(R)-2-Chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one
CID 24820413
(7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one
CID 178015415
8-[(1-Methylimidazol-2-yl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449880
7-Ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one
CID 58405299
(7S)-7-ethyl-2-imidazol-1-yl-5-methyl-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 58405400
(7R)-8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 58405406
(7R)-2-Chloro-8-(3,3-difluorocyclopentyl)-7-ethyl-7,8-dihydro-5-methyl-6(5H)-pteridinone
CID 58405409
(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one
CID 58405452
(7R)-2-chloro-7-ethyl-5-methyl-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 58405517
(7R)-7-ethyl-2-imidazol-1-yl-5-methyl-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 58405823
2-imidazol-1-yl-5-methyl-6a-(2,2,2-trifluoroethyl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
CID 58405861

Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one (CID 58405534) is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3C(F)(F)F)nc2N1C1CCCC1.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one?
The InChIKey is VCVOAWFUFOPIDR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21F3N6O/c1-3-12-15(28)25(2)13-10-23-17(26-9-8-22-16(26)18(19,20)21)24-14(13)27(12)11-6-4-5-7-11/h8-12H,3-7H2,1-2H3/t12-/m1/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one?
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one has a molecular weight of 394.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one is sourced from PubChem (CID 58405534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).