(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one

C18H24N6O — CID 58405420

IUPAC(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C)c3)nc2N1C1CCCC1
InChIInChI=1S/C18H24N6O/c1-4-14-17(25)22(3)15-9-19-18(23-10-12(2)20-11-23)21-16(15)24(14)13-7-5-6-8-13/h9-11,13-14H,4-8H2,1-3H3/t14-/m1/s1
InChIKeyCJSZKJBGBKTEFS-CQSZACIVSA-N
MW340.43 g/mol
LogP2.47
Rot. Bonds3

About (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one

(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one (PubChem CID 58405420) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one
PubChem CID58405420
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C)c3)nc2N1C1CCCC1
InChIInChI=1S/C18H24N6O/c1-4-14-17(25)22(3)15-9-19-18(23-10-12(2)20-11-23)21-16(15)24(14)13-7-5-6-8-13/h9-11,13-14H,4-8H2,1-3H3/t14-/m1/s1
InChIKeyCJSZKJBGBKTEFS-CQSZACIVSA-N
XLogP2.47
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one with MolForge

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Launch Full Analysis

Related Compounds

(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-7,8-Dihydropteridin-6(5h)-One
CID 71739407
(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido[4,5-b]pyrazine
CID 58405561
(R)-2-Chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one
CID 24820413
8-[(1-Methylimidazol-2-yl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449880
1-(4-(6-(4,5-dimethyl-1H-imidazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)butan-1-one
CID 56922287
(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)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405534
(7R)-7-ethyl-2-imidazol-1-yl-5-methyl-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 58405823
Ethyl-5-methyl-5,6,7,8-tetrahydropteridin-6-one
CID 58484974
8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one
CID 67261441

Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one (CID 58405420) is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C)c3)nc2N1C1CCCC1.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one?
The InChIKey is CJSZKJBGBKTEFS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N6O/c1-4-14-17(25)22(3)15-9-19-18(23-10-12(2)20-11-23)21-16(15)24(14)13-7-5-6-8-13/h9-11,13-14H,4-8H2,1-3H3/t14-/m1/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one?
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylimidazol-1-yl)-7H-pteridin-6-one has a molecular weight of 340.43 g/mol, XLogP of 2.47, 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-(4-methylimidazol-1-yl)-7H-pteridin-6-one is sourced from PubChem (CID 58405420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).