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

C17H18FN3O3 — CID 136557950

IUPAC2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid
SMILESCOCc1ncc2c(n1)CCN(C(C(=O)O)c1ccccc1F)C2
InChIInChI=1S/C17H18FN3O3/c1-24-10-15-19-8-11-9-21(7-6-14(11)20-15)16(17(22)23)12-4-2-3-5-13(12)18/h2-5,8,16H,6-7,9-10H2,1H3,(H,22,23)
InChIKeyYFQCJSCCVBITQV-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.95
Rot. Bonds5

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

2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid (PubChem CID 136557950) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid
PubChem CID136557950
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid
SMILESCOCc1ncc2c(n1)CCN(C(C(=O)O)c1ccccc1F)C2
InChIInChI=1S/C17H18FN3O3/c1-24-10-15-19-8-11-9-21(7-6-14(11)20-15)16(17(22)23)12-4-2-3-5-13(12)18/h2-5,8,16H,6-7,9-10H2,1H3,(H,22,23)
InChIKeyYFQCJSCCVBITQV-UHFFFAOYSA-N
XLogP1.95
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzoic acid
CID 136556821
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-fluorophenyl)acetic acid
CID 141122173
1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
CID 154769177
2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid
CID 84746417
2-(2-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 2762218
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethoxyphenyl)acetic acid
CID 97188502
[5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate
CID 53378560
(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 95612697
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
CID 56754351
6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928924
1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride
CID 68895421
[5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride
CID 171381090

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid?
The IUPAC name of 2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid (CID 136557950) is 2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid?
The canonical SMILES for 2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid is COCc1ncc2c(n1)CCN(C(C(=O)O)c1ccccc1F)C2.
What is the InChIKey of 2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid?
The InChIKey is YFQCJSCCVBITQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-24-10-15-19-8-11-9-21(7-6-14(11)20-15)16(17(22)23)12-4-2-3-5-13(12)18/h2-5,8,16H,6-7,9-10H2,1H3,(H,22,23).
What are the key properties of 2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid?
2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid has a molecular weight of 331.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid is sourced from PubChem (CID 136557950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).