1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

C14H10F3N5O2 — CID 156514056

IUPAC1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCNc1nc(=O)n(-c2ccc(O)cn2)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C14H10F3N5O2/c1-18-11-8-3-4-9(14(15,16)17)20-12(8)22(13(24)21-11)10-5-2-7(23)6-19-10/h2-6,23H,1H3,(H,18,21,24)
InChIKeyWTKCGKODRXUDOX-UHFFFAOYSA-N
MW337.26 g/mol
LogP1.94
Rot. Bonds2

About 1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 156514056) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID156514056
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26 g/mol
Exact Mass337.08
IUPAC Name1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCNc1nc(=O)n(-c2ccc(O)cn2)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C14H10F3N5O2/c1-18-11-8-3-4-9(14(15,16)17)20-12(8)22(13(24)21-11)10-5-2-7(23)6-19-10/h2-6,23H,1H3,(H,18,21,24)
InChIKeyWTKCGKODRXUDOX-UHFFFAOYSA-N
XLogP1.94
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 156514056) is 1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is CNc1nc(=O)n(-c2ccc(O)cn2)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is WTKCGKODRXUDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c1-18-11-8-3-4-9(14(15,16)17)20-12(8)22(13(24)21-11)10-5-2-7(23)6-19-10/h2-6,23H,1H3,(H,18,21,24).
What are the key properties of 1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 337.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 156514056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).