1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one

C14H14F3N5O2 — CID 130204991

IUPAC1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
SMILESCC1(CC(F)(F)F)NC(O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C14H14F3N5O2/c1-13(6-14(15,16)17)21-11(23)9-3-2-8(12(24)22(9)13)20-10-4-5-18-7-19-10/h2-5,7,11,21,23H,6H2,1H3,(H,18,19,20)
InChIKeyUUTRQNLBGDFMFE-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.60
Rot. Bonds3

About 1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one

1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one (PubChem CID 130204991) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
PubChem CID130204991
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
SMILESCC1(CC(F)(F)F)NC(O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C14H14F3N5O2/c1-13(6-14(15,16)17)21-11(23)9-3-2-8(12(24)22(9)13)20-10-4-5-18-7-19-10/h2-5,7,11,21,23H,6H2,1H3,(H,18,19,20)
InChIKeyUUTRQNLBGDFMFE-UHFFFAOYSA-N
XLogP1.60
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one?
The IUPAC name of 1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one (CID 130204991) is 1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one.
What is the SMILES notation for 1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one?
The canonical SMILES for 1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one is CC1(CC(F)(F)F)NC(O)c2ccc(Nc3ccncn3)c(=O)n21.
What is the InChIKey of 1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one?
The InChIKey is UUTRQNLBGDFMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c1-13(6-14(15,16)17)21-11(23)9-3-2-8(12(24)22(9)13)20-10-4-5-18-7-19-10/h2-5,7,11,21,23H,6H2,1H3,(H,18,19,20).
What are the key properties of 1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one?
1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one has a molecular weight of 341.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one is sourced from PubChem (CID 130204991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).