7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C18H19FN4O2 — CID 136707027

IUPAC7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1ccccc1F)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1
InChIInChI=1S/C18H19FN4O2/c19-14-6-2-1-5-12(14)17(25)23-10-7-13-15(11-23)20-18(21-16(13)24)22-8-3-4-9-22/h1-2,5-6H,3-4,7-11H2,(H,20,21,24)
InChIKeyDKPCAMKPRZMZPU-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.71
Rot. Bonds2

About 7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136707027) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136707027
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1ccccc1F)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1
InChIInChI=1S/C18H19FN4O2/c19-14-6-2-1-5-12(14)17(25)23-10-7-13-15(11-23)20-18(21-16(13)24)22-8-3-4-9-22/h1-2,5-6H,3-4,7-11H2,(H,20,21,24)
InChIKeyDKPCAMKPRZMZPU-UHFFFAOYSA-N
XLogP1.71
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136707027) is 7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(c1ccccc1F)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1.
What is the InChIKey of 7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is DKPCAMKPRZMZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-14-6-2-1-5-12(14)17(25)23-10-7-13-15(11-23)20-18(21-16(13)24)22-8-3-4-9-22/h1-2,5-6H,3-4,7-11H2,(H,20,21,24).
What are the key properties of 7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 342.37 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorobenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136707027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).