8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one

C16H13FN4O2 — CID 3233318

IUPAC8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one
SMILESCOc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C3CC3)c2n1
InChIInChI=1S/C16H13FN4O2/c1-23-16-18-8-12-14(20-16)21(11-6-7-11)15(22)13(19-12)9-2-4-10(17)5-3-9/h2-5,8,11H,6-7H2,1H3
InChIKeyQDBWCVJQMZIDTF-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.34
Rot. Bonds3

About 8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one

8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one (PubChem CID 3233318) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one
PubChem CID3233318
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one
SMILESCOc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C3CC3)c2n1
InChIInChI=1S/C16H13FN4O2/c1-23-16-18-8-12-14(20-16)21(11-6-7-11)15(22)13(19-12)9-2-4-10(17)5-3-9/h2-5,8,11H,6-7H2,1H3
InChIKeyQDBWCVJQMZIDTF-UHFFFAOYSA-N
XLogP2.34
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one?
The IUPAC name of 8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one (CID 3233318) is 8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one?
The canonical SMILES for 8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one is COc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C3CC3)c2n1.
What is the InChIKey of 8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one?
The InChIKey is QDBWCVJQMZIDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-23-16-18-8-12-14(20-16)21(11-6-7-11)15(22)13(19-12)9-2-4-10(17)5-3-9/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one?
8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one has a molecular weight of 312.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one is sourced from PubChem (CID 3233318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).