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

C22H20FN3O2 — CID 137299048

IUPAC[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone
SMILESCCc1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C22H20FN3O2/c1-2-20-24-19-11-12-26(22(28)15-3-7-16(23)8-4-15)13-18(19)21(25-20)14-5-9-17(27)10-6-14/h3-10,27H,2,11-13H2,1H3
InChIKeyLTQQGTOSFSLORQ-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.75
Rot. Bonds3

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

[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone (PubChem CID 137299048) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone
PubChem CID137299048
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone
SMILESCCc1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C22H20FN3O2/c1-2-20-24-19-11-12-26(22(28)15-3-7-16(23)8-4-15)13-18(19)21(25-20)14-5-9-17(27)10-6-14/h3-10,27H,2,11-13H2,1H3
InChIKeyLTQQGTOSFSLORQ-UHFFFAOYSA-N
XLogP3.75
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone (CID 137299048) is [2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone is CCc1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of [2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone?
The InChIKey is LTQQGTOSFSLORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-2-20-24-19-11-12-26(22(28)15-3-7-16(23)8-4-15)13-18(19)21(25-20)14-5-9-17(27)10-6-14/h3-10,27H,2,11-13H2,1H3.
What are the key properties of [2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone?
[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone has a molecular weight of 377.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 137299048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).