2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one

C17H16FN3O2S — CID 38837180

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCOCCn1c(SCc2ccccc2F)nc2ncccc2c1=O
InChIInChI=1S/C17H16FN3O2S/c1-23-10-9-21-16(22)13-6-4-8-19-15(13)20-17(21)24-11-12-5-2-3-7-14(12)18/h2-8H,9-11H2,1H3
InChIKeyNIBGLDCVVFRGHE-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.87
Rot. Bonds6

About 2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one

2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 38837180) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID38837180
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCOCCn1c(SCc2ccccc2F)nc2ncccc2c1=O
InChIInChI=1S/C17H16FN3O2S/c1-23-10-9-21-16(22)13-6-4-8-19-15(13)20-17(21)24-11-12-5-2-3-7-14(12)18/h2-8H,9-11H2,1H3
InChIKeyNIBGLDCVVFRGHE-UHFFFAOYSA-N
XLogP2.87
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one (CID 38837180) is 2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one is COCCn1c(SCc2ccccc2F)nc2ncccc2c1=O.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is NIBGLDCVVFRGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-23-10-9-21-16(22)13-6-4-8-19-15(13)20-17(21)24-11-12-5-2-3-7-14(12)18/h2-8H,9-11H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one?
2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 345.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 38837180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).