2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one

C26H18F2N4O — CID 18375325

IUPAC2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H18F2N4O/c27-20-11-6-17(7-12-20)24(18-8-13-21(28)14-9-18)32-23(33)15-10-19-16-29-26(31-25(19)32)30-22-4-2-1-3-5-22/h1-16,24H,(H,29,30,31)
InChIKeyNMLCMTVSZONHAJ-UHFFFAOYSA-N
MW440.45 g/mol
LogP5.45
Rot. Bonds5

About 2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one

2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18375325) has the molecular formula C26H18F2N4O and a molecular weight of 440.45 g/mol. Its IUPAC name is 2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID18375325
Molecular FormulaC26H18F2N4O
Molecular Weight440.45 g/mol
Exact Mass440.14
IUPAC Name2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H18F2N4O/c27-20-11-6-17(7-12-20)24(18-8-13-21(28)14-9-18)32-23(33)15-10-19-16-29-26(31-25(19)32)30-22-4-2-1-3-5-22/h1-16,24H,(H,29,30,31)
InChIKeyNMLCMTVSZONHAJ-UHFFFAOYSA-N
XLogP5.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.45
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 18375325) is 2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccccc3)nc2n1C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NMLCMTVSZONHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N4O/c27-20-11-6-17(7-12-20)24(18-8-13-21(28)14-9-18)32-23(33)15-10-19-16-29-26(31-25(19)32)30-22-4-2-1-3-5-22/h1-16,24H,(H,29,30,31).
What are the key properties of 2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 440.45 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-[bis(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18375325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).