(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one

C24H25N5O — CID 58405739

IUPAC(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-c3ccncc3-c3ccccc3)nc2N1C1CCC1
InChIInChI=1S/C24H25N5O/c1-3-20-24(30)28(2)21-15-26-22(27-23(21)29(20)17-10-7-11-17)18-12-13-25-14-19(18)16-8-5-4-6-9-16/h4-6,8-9,12-15,17,20H,3,7,10-11H2,1-2H3/t20-/m1/s1
InChIKeyZCDGVJDRPBDBIB-HXUWFJFHSA-N
MW399.50 g/mol
LogP4.32
Rot. Bonds4

About (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one

(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one (PubChem CID 58405739) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one
PubChem CID58405739
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-c3ccncc3-c3ccccc3)nc2N1C1CCC1
InChIInChI=1S/C24H25N5O/c1-3-20-24(30)28(2)21-15-26-22(27-23(21)29(20)17-10-7-11-17)18-12-13-25-14-19(18)16-8-5-4-6-9-16/h4-6,8-9,12-15,17,20H,3,7,10-11H2,1-2H3/t20-/m1/s1
InChIKeyZCDGVJDRPBDBIB-HXUWFJFHSA-N
XLogP4.32
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one with MolForge

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Launch Full Analysis

Related Compounds

(4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979507
(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979399
methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate
CID 77446170
8-cyclobutyl-7-ethyl-5-methyl-2-(2-pyridin-4-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67372003
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1-oxidopyridin-1-ium-4-yl)-7H-pteridin-6-one
CID 67253084
(7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one
CID 67261404
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one
CID 58405599
8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one
CID 67254335
8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 67261461
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405723
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405488
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(3-phenylmethoxyphenyl)-7H-pteridin-6-one;methane;(3-phenylmethoxyphenyl)boronic acid
CID 159303115

Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one (CID 58405739) is (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-c3ccncc3-c3ccccc3)nc2N1C1CCC1.
What is the InChIKey of (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one?
The InChIKey is ZCDGVJDRPBDBIB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N5O/c1-3-20-24(30)28(2)21-15-26-22(27-23(21)29(20)17-10-7-11-17)18-12-13-25-14-19(18)16-8-5-4-6-9-16/h4-6,8-9,12-15,17,20H,3,7,10-11H2,1-2H3/t20-/m1/s1.
What are the key properties of (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one?
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one has a molecular weight of 399.50 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one is sourced from PubChem (CID 58405739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).