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

C22H25N7O2 — CID 58405488

IUPAC(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-n3ccccc3=O)nc2N1C1CCCC1
InChIInChI=1S/C22H25N7O2/c1-3-16-20(31)26(2)17-14-24-21(25-19(17)29(16)15-8-4-5-9-15)28-13-11-23-22(28)27-12-7-6-10-18(27)30/h6-7,10-16H,3-5,8-9H2,1-2H3/t16-/m1/s1
InChIKeyOMEMTOHMVATAFC-MRXNPFEDSA-N
MW419.49 g/mol
LogP2.32
Rot. Bonds4

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

(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one (PubChem CID 58405488) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one
PubChem CID58405488
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-n3ccccc3=O)nc2N1C1CCCC1
InChIInChI=1S/C22H25N7O2/c1-3-16-20(31)26(2)17-14-24-21(25-19(17)29(16)15-8-4-5-9-15)28-13-11-23-22(28)27-12-7-6-10-18(27)30/h6-7,10-16H,3-5,8-9H2,1-2H3/t16-/m1/s1
InChIKeyOMEMTOHMVATAFC-MRXNPFEDSA-N
XLogP2.32
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

8-cyclopentyl-7-ethyl-5-methyl-2-(2-pyrazol-1-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67260508
(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
8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one
CID 67369748
(7R)-7-ethyl-5-methyl-8-(oxetan-3-yl)-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
CID 58405849
8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67261320
8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 67261461
7-ethyl-5-methyl-8-(oxan-4-yl)-2-(2-pyridin-4-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67261650
1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 67261357
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one
CID 58405739
(7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one
CID 67261404
8-(3,3-difluorocyclopentyl)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one
CID 71602777

Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one (CID 58405488) is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-n3ccccc3=O)nc2N1C1CCCC1.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one?
The InChIKey is OMEMTOHMVATAFC-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-3-16-20(31)26(2)17-14-24-21(25-19(17)29(16)15-8-4-5-9-15)28-13-11-23-22(28)27-12-7-6-10-18(27)30/h6-7,10-16H,3-5,8-9H2,1-2H3/t16-/m1/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one?
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one has a molecular weight of 419.49 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one is sourced from PubChem (CID 58405488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).