8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one

C15H13FN4O — CID 5330206

IUPAC8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(F)cc3)nc21
InChIInChI=1S/C15H13FN4O/c1-2-20-13(21)8-3-10-9-17-15(19-14(10)20)18-12-6-4-11(16)5-7-12/h3-9H,2H2,1H3,(H,17,18,19)
InChIKeyDXMBSYMFSSVIKY-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.69
Rot. Bonds3

About 8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330206) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330206
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(F)cc3)nc21
InChIInChI=1S/C15H13FN4O/c1-2-20-13(21)8-3-10-9-17-15(19-14(10)20)18-12-6-4-11(16)5-7-12/h3-9H,2H2,1H3,(H,17,18,19)
InChIKeyDXMBSYMFSSVIKY-UHFFFAOYSA-N
XLogP2.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5330206) is 8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(Nc3ccc(F)cc3)nc21.
What is the InChIKey of 8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DXMBSYMFSSVIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-2-20-13(21)8-3-10-9-17-15(19-14(10)20)18-12-6-4-11(16)5-7-12/h3-9H,2H2,1H3,(H,17,18,19).
What are the key properties of 8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 284.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).