2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one

C21H15F3N4O — CID 18374843

IUPAC2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H15F3N4O/c22-21(23,24)18(14-7-3-1-4-8-14)28-17(29)12-11-15-13-25-20(27-19(15)28)26-16-9-5-2-6-10-16/h1-13,18H,(H,25,26,27)
InChIKeyHRBIHDXJWQPQLV-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.69
Rot. Bonds4

About 2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one

2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18374843) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID18374843
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC Name2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H15F3N4O/c22-21(23,24)18(14-7-3-1-4-8-14)28-17(29)12-11-15-13-25-20(27-19(15)28)26-16-9-5-2-6-10-16/h1-13,18H,(H,25,26,27)
InChIKeyHRBIHDXJWQPQLV-UHFFFAOYSA-N
XLogP4.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one (CID 18374843) is 2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccccc3)nc2n1C(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HRBIHDXJWQPQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c22-21(23,24)18(14-7-3-1-4-8-14)28-17(29)12-11-15-13-25-20(27-19(15)28)26-16-9-5-2-6-10-16/h1-13,18H,(H,25,26,27).
What are the key properties of 2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 396.37 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18374843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).