(2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C22H20FN3O2 — CID 53147019

IUPAC(2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C22H20FN3O2/c1-2-28-20-6-4-3-5-18(20)22(27)26-12-11-19-16(14-26)13-24-21(25-19)15-7-9-17(23)10-8-15/h3-10,13H,2,11-12,14H2,1H3
InChIKeyLZRHCMASYPTGLN-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.88
Rot. Bonds4

About (2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 53147019) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID53147019
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name(2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C22H20FN3O2/c1-2-28-20-6-4-3-5-18(20)22(27)26-12-11-19-16(14-26)13-24-21(25-19)15-7-9-17(23)10-8-15/h3-10,13H,2,11-12,14H2,1H3
InChIKeyLZRHCMASYPTGLN-UHFFFAOYSA-N
XLogP3.88
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone with MolForge

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Related Compounds

p-(18F)MPPF
CID 5352127
Pyrimidine-4-carboxamide, 81
CID 44520954
Pyrimidine-4-carboxamide, 82
CID 44520967
(E)-but-2-enedioic acid;3-chloro-4-[4-[5-(4-methylpyrimidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one
CID 46905547
2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
CID 10136330
2-Methoxy-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
CID 10157645
3-Chloro-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 18327916
3-Methyl-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 18328103
4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 18328121
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl](2-fluorophenyl)methanone
CID 25007787
3-(2-Isobutoxybenzyl)-9-(pyrimidin-4-ylcarbonyl)-3,9-diazaspiro[5.5]undecane
CID 44598769
3-chloro-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one;hydrochloride
CID 45263277

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 53147019) is (2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CCOc1ccccc1C(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1.
What is the InChIKey of (2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is LZRHCMASYPTGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-2-28-20-6-4-3-5-18(20)22(27)26-12-11-19-16(14-26)13-24-21(25-19)15-7-9-17(23)10-8-15/h3-10,13H,2,11-12,14H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 377.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 53147019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).