8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one

C23H19F3N4O2 — CID 59639607

IUPAC8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOCCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C23H19F3N4O2/c1-13-12-14(24)6-7-15(13)20-16-8-9-19(31)30(21-17(25)4-3-5-18(21)26)22(16)29-23(28-20)27-10-11-32-2/h3-9,12H,10-11H2,1-2H3,(H,27,28,29)
InChIKeyWLHBLIBYXYOTCT-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.23
Rot. Bonds6

About 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59639607) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59639607
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOCCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C23H19F3N4O2/c1-13-12-14(24)6-7-15(13)20-16-8-9-19(31)30(21-17(25)4-3-5-18(21)26)22(16)29-23(28-20)27-10-11-32-2/h3-9,12H,10-11H2,1-2H3,(H,27,28,29)
InChIKeyWLHBLIBYXYOTCT-UHFFFAOYSA-N
XLogP4.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 59639607) is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one is COCCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1.
What is the InChIKey of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WLHBLIBYXYOTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-13-12-14(24)6-7-15(13)20-16-8-9-19(31)30(21-17(25)4-3-5-18(21)26)22(16)29-23(28-20)27-10-11-32-2/h3-9,12H,10-11H2,1-2H3,(H,27,28,29).
What are the key properties of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one?
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 440.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59639607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).