7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C18H15F2N3O2 — CID 135863635

IUPAC7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccco2)nc2c1CCN(Cc1ccc(F)cc1F)C2
InChIInChI=1S/C18H15F2N3O2/c19-12-4-3-11(14(20)8-12)9-23-6-5-13-15(10-23)21-17(22-18(13)24)16-2-1-7-25-16/h1-4,7-8H,5-6,9-10H2,(H,21,22,24)
InChIKeyXQJQLVKLCNPTSD-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.87
Rot. Bonds3

About 7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135863635) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135863635
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccco2)nc2c1CCN(Cc1ccc(F)cc1F)C2
InChIInChI=1S/C18H15F2N3O2/c19-12-4-3-11(14(20)8-12)9-23-6-5-13-15(10-23)21-17(22-18(13)24)16-2-1-7-25-16/h1-4,7-8H,5-6,9-10H2,(H,21,22,24)
InChIKeyXQJQLVKLCNPTSD-UHFFFAOYSA-N
XLogP2.87
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135863635) is 7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(-c2ccco2)nc2c1CCN(Cc1ccc(F)cc1F)C2.
What is the InChIKey of 7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is XQJQLVKLCNPTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c19-12-4-3-11(14(20)8-12)9-23-6-5-13-15(10-23)21-17(22-18(13)24)16-2-1-7-25-16/h1-4,7-8H,5-6,9-10H2,(H,21,22,24).
What are the key properties of 7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 343.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135863635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).