2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C22H20FN3O3 — CID 135619274

IUPAC2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(COc1ccccc1)N1CCc2nc(Cc3ccc(F)cc3)[nH]c(=O)c2C1
InChIInChI=1S/C22H20FN3O3/c23-16-8-6-15(7-9-16)12-20-24-19-10-11-26(13-18(19)22(28)25-20)21(27)14-29-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,24,25,28)
InChIKeyITXVRIDLNBBYGD-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.46
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135619274) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135619274
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(COc1ccccc1)N1CCc2nc(Cc3ccc(F)cc3)[nH]c(=O)c2C1
InChIInChI=1S/C22H20FN3O3/c23-16-8-6-15(7-9-16)12-20-24-19-10-11-26(13-18(19)22(28)25-20)21(27)14-29-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,24,25,28)
InChIKeyITXVRIDLNBBYGD-UHFFFAOYSA-N
XLogP2.46
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Ethoxybenzyl)-6-methyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-ol
CID 135420399
2-(4-Ethoxybenzyl)-6-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-ol
CID 135485417
7-[2-(3,4-Difluorophenoxy)acetyl]-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136112276
N-(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(2-fluorophenoxy)propanamide
CID 44010063
11-[2-(3,4-Difluorophenoxy)acetyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 53184053
6-[2-(3,4-difluorophenoxy)acetyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
CID 87052469
2-[(3-Fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135619409
7-(2-phenoxypropanoyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 53184036
N-benzyl-2-[(4-fluorophenoxy)methyl]-4-hydroxy-N-methylpyrimidine-5-carboxamide
CID 70748282
8-chloro-2-(2-(4-fluorophenoxy)acetyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91632530
2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide
CID 153359566
2-(4-fluoro-3-methylphenoxy)-N-(4,5,6,7,8,9-hexahydro-3H-1-benzazepin-2-yl)-N-prop-2-enylpropanamide
CID 153359577

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135619274) is 2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(COc1ccccc1)N1CCc2nc(Cc3ccc(F)cc3)[nH]c(=O)c2C1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ITXVRIDLNBBYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-16-8-6-15(7-9-16)12-20-24-19-10-11-26(13-18(19)22(28)25-20)21(27)14-29-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,24,25,28).
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 393.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135619274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).