(2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one

C22H23N3O3 — CID 25300857

IUPAC(2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCOCc1cc(C)nc2c1C(=O)N[C@@H](c1ccc(C)o1)N2Cc1ccccc1
InChIInChI=1S/C22H23N3O3/c1-14-11-17(13-27-3)19-21(23-14)25(12-16-7-5-4-6-8-16)20(24-22(19)26)18-10-9-15(2)28-18/h4-11,20H,12-13H2,1-3H3,(H,24,26)/t20-/m1/s1
InChIKeyHKBNUENOIPKYFM-HXUWFJFHSA-N
MW377.44 g/mol
LogP3.89
Rot. Bonds5

About (2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one

(2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 25300857) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
PubChem CID25300857
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCOCc1cc(C)nc2c1C(=O)N[C@@H](c1ccc(C)o1)N2Cc1ccccc1
InChIInChI=1S/C22H23N3O3/c1-14-11-17(13-27-3)19-21(23-14)25(12-16-7-5-4-6-8-16)20(24-22(19)26)18-10-9-15(2)28-18/h4-11,20H,12-13H2,1-3H3,(H,24,26)/t20-/m1/s1
InChIKeyHKBNUENOIPKYFM-HXUWFJFHSA-N
XLogP3.89
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
CID 7327170
1-benzyl-2-(4-bromophenyl)-5,7-dimethyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
CID 5305915
2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
CID 5301765
(4R)-5-benzyl-4-ethyl-13-(methoxymethyl)-11-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-6-one
CID 92716931
3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one
CID 102537098
(4S)-5-(furan-2-ylmethyl)-13-(methoxymethyl)-11-methyl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-6-one
CID 92670368
(4Z)-4-[hydroxy(phenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 108609555
(5R)-11-benzyl-5-(5-methylfuran-2-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 7275377
4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 121375785
(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 121375783
(4Z)-4-[(3,4-dichlorophenyl)-hydroxymethylidene]-1-[(4-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 108609592
4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one
CID 90104731

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of (2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (CID 25300857) is (2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for (2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is COCc1cc(C)nc2c1C(=O)N[C@@H](c1ccc(C)o1)N2Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is HKBNUENOIPKYFM-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-11-17(13-27-3)19-21(23-14)25(12-16-7-5-4-6-8-16)20(24-22(19)26)18-10-9-15(2)28-18/h4-11,20H,12-13H2,1-3H3,(H,24,26)/t20-/m1/s1.
What are the key properties of (2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
(2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 377.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 25300857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).