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

C16H17F3N4O2 — CID 142483362

IUPAC1-hydroxy-3-methyl-6-(2-pyrimidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
SMILESCC1(CC(F)(F)F)NC(O)c2ccc(CCc3ccncn3)c(=O)n21
InChIInChI=1S/C16H17F3N4O2/c1-15(8-16(17,18)19)22-13(24)12-5-3-10(14(25)23(12)15)2-4-11-6-7-20-9-21-11/h3,5-7,9,13,22,24H,2,4,8H2,1H3
InChIKeyVXSWRAFQRSNLLD-UHFFFAOYSA-N
MW354.33 g/mol
LogP1.64
Rot. Bonds4

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

1-hydroxy-3-methyl-6-(2-pyrimidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one (PubChem CID 142483362) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-6-(2-pyrimidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name1-hydroxy-3-methyl-6-(2-pyrimidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
PubChem CID142483362
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name1-hydroxy-3-methyl-6-(2-pyrimidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
SMILESCC1(CC(F)(F)F)NC(O)c2ccc(CCc3ccncn3)c(=O)n21
InChIInChI=1S/C16H17F3N4O2/c1-15(8-16(17,18)19)22-13(24)12-5-3-10(14(25)23(12)15)2-4-11-6-7-20-9-21-11/h3,5-7,9,13,22,24H,2,4,8H2,1H3
InChIKeyVXSWRAFQRSNLLD-UHFFFAOYSA-N
XLogP1.64
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 142483378
3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
CID 130205279
3-[(3-chlorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
CID 155474790
2-pyrimidin-4-ylacetohydrazide
CID 156821377
4-propylpyrimidine
CID 18996562
4,4-dimethyl-1-pyrimidin-4-ylpentan-3-one
CID 158821572
4-(2-piperidin-4-ylethyl)pyrimidine
CID 83847210
2-pyrimidin-4-ylacetonitrile
CID 14169572
2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 119057190
1-(1-methylpiperidin-4-yl)-2-pyrimidin-4-ylethanone
CID 116832883
ethane;pyrimidin-4-ylmethanamine
CID 90939628
1-amino-3-pyrimidin-4-ylpropan-2-one
CID 177333601

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-6-(2-pyrimidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one?
The IUPAC name of 1-hydroxy-3-methyl-6-(2-pyrimidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one (CID 142483362) is 1-hydroxy-3-methyl-6-(2-pyrimidin-4-ylethyl)-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-(2-pyrimidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one?
The canonical SMILES for 1-hydroxy-3-methyl-6-(2-pyrimidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one is CC1(CC(F)(F)F)NC(O)c2ccc(CCc3ccncn3)c(=O)n21.
What is the InChIKey of 1-hydroxy-3-methyl-6-(2-pyrimidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one?
The InChIKey is VXSWRAFQRSNLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-15(8-16(17,18)19)22-13(24)12-5-3-10(14(25)23(12)15)2-4-11-6-7-20-9-21-11/h3,5-7,9,13,22,24H,2,4,8H2,1H3.
What are the key properties of 1-hydroxy-3-methyl-6-(2-pyrimidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one?
1-hydroxy-3-methyl-6-(2-pyrimidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one has a molecular weight of 354.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-6-(2-pyrimidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one is sourced from PubChem (CID 142483362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).