1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol

C17H20FN3O2 — CID 154769177

IUPAC1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
SMILESCOCc1ncc2c(n1)CCN(CC(O)c1ccc(F)cc1)C2
InChIInChI=1S/C17H20FN3O2/c1-23-11-17-19-8-13-9-21(7-6-15(13)20-17)10-16(22)12-2-4-14(18)5-3-12/h2-5,8,16,22H,6-7,9-11H2,1H3
InChIKeyJGMYDYREVUPXCH-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.85
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol

1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol (PubChem CID 154769177) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
PubChem CID154769177
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
SMILESCOCc1ncc2c(n1)CCN(CC(O)c1ccc(F)cc1)C2
InChIInChI=1S/C17H20FN3O2/c1-23-11-17-19-8-13-9-21(7-6-15(13)20-17)10-16(22)12-2-4-14(18)5-3-12/h2-5,8,16,22H,6-7,9-11H2,1H3
InChIKeyJGMYDYREVUPXCH-UHFFFAOYSA-N
XLogP1.85
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol 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
2-(2-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid
CID 136557950
2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol
CID 86773222
1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521
6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912087
6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 111469786
2-propyl-6-[(2,3,6-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928197
6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 142805068
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-methoxyphenyl)ethanol
CID 62407126
4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501554
6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 111469783
2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929877

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol (CID 154769177) is 1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol is COCc1ncc2c(n1)CCN(CC(O)c1ccc(F)cc1)C2.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
The InChIKey is JGMYDYREVUPXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-23-11-17-19-8-13-9-21(7-6-15(13)20-17)10-16(22)12-2-4-14(18)5-3-12/h2-5,8,16,22H,6-7,9-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol has a molecular weight of 317.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(methoxymethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 154769177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).