8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one

C23H26N6O — CID 76777977

IUPAC8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1C(C)C1CC1
InChIInChI=1S/C23H26N6O/c1-4-18-22(30)27(3)19-14-25-23(26-21(19)29(18)15(2)16-10-11-16)28-13-12-24-20(28)17-8-6-5-7-9-17/h5-9,12-16,18H,4,10-11H2,1-3H3
InChIKeyQNTWJIILWANRRF-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.69
Rot. Bonds5

About 8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one

8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one (PubChem CID 76777977) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one.

Molecular Properties

Compound Name8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
PubChem CID76777977
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1C(C)C1CC1
InChIInChI=1S/C23H26N6O/c1-4-18-22(30)27(3)19-14-25-23(26-21(19)29(18)15(2)16-10-11-16)28-13-12-24-20(28)17-8-6-5-7-9-17/h5-9,12-16,18H,4,10-11H2,1-3H3
InChIKeyQNTWJIILWANRRF-UHFFFAOYSA-N
XLogP3.69
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-amino-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one;hydrochloride
CID 67260078
(7R)-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-8-propan-2-yl-7H-pteridin-6-one
CID 58405382
(7R)-7-ethyl-5-methyl-8-(oxetan-3-yl)-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
CID 58405849
(7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one
CID 71602829
7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-phenyl-7H-pteridin-6-one
CID 58405510
(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-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 77245019
7-ethyl-5-methyl-8-(oxan-4-yl)-2-(2-pyridin-4-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67261650
(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one;2-(3-chlorophenyl)-1H-imidazole;(7R)-2-[2-(3-chlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 158722688
8-(3,3-difluorocyclopentyl)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one
CID 71602777
(7R)-7-ethyl-5-methyl-2-(2-phenyl-4,5-dihydroimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one
CID 58405577

Frequently Asked Questions

What is the IUPAC name of 8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one?
The IUPAC name of 8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one (CID 76777977) is 8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one.
What is the SMILES notation for 8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one?
The canonical SMILES for 8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1C(C)C1CC1.
What is the InChIKey of 8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one?
The InChIKey is QNTWJIILWANRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-4-18-22(30)27(3)19-14-25-23(26-21(19)29(18)15(2)16-10-11-16)28-13-12-24-20(28)17-8-6-5-7-9-17/h5-9,12-16,18H,4,10-11H2,1-3H3.
What are the key properties of 8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one?
8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one has a molecular weight of 402.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one is sourced from PubChem (CID 76777977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).