6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C15H18F3N5O — CID 135946702

IUPAC6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)n1cc(CN2CCc3nc(C(F)(F)F)[nH]c(=O)c3C2)cn1
InChIInChI=1S/C15H18F3N5O/c1-9(2)23-7-10(5-19-23)6-22-4-3-12-11(8-22)13(24)21-14(20-12)15(16,17)18/h5,7,9H,3-4,6,8H2,1-2H3,(H,20,21,24)
InChIKeyWFKNKZISTIQQNR-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.12
Rot. Bonds3

About 6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946702) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135946702
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)n1cc(CN2CCc3nc(C(F)(F)F)[nH]c(=O)c3C2)cn1
InChIInChI=1S/C15H18F3N5O/c1-9(2)23-7-10(5-19-23)6-22-4-3-12-11(8-22)13(24)21-14(20-12)15(16,17)18/h5,7,9H,3-4,6,8H2,1-2H3,(H,20,21,24)
InChIKeyWFKNKZISTIQQNR-UHFFFAOYSA-N
XLogP2.12
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methyl-2-[[1-(4-methylpyrazol-1-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 53627362
2-(1,1-difluoropropyl)-3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-one
CID 144318234
4-[1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 166701367
2-(1-cyclopentylpyrazol-4-yl)-7-(1,1-difluoroethyl)-3-methyl-9-[[[(3E)-2-methylpenta-1,3-dien-3-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one;ethane
CID 168202151
3-amino-2-[4-cyclopropylidene-6-(difluoromethyl)-1H-pyrimidin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
CID 173996449
6-[(1,3-Dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862474
6-[(1-Methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942504
6-[(1-Ethyl-5-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943522
6-[(1-Ethyl-3-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943542
6-[(1-Ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943562
6-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943662
6-[(3-Methyl-1-propylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944322

Frequently Asked Questions

What is the IUPAC name of 6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946702) is 6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)n1cc(CN2CCc3nc(C(F)(F)F)[nH]c(=O)c3C2)cn1.
What is the InChIKey of 6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is WFKNKZISTIQQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-9(2)23-7-10(5-19-23)6-22-4-3-12-11(8-22)13(24)21-14(20-12)15(16,17)18/h5,7,9H,3-4,6,8H2,1-2H3,(H,20,21,24).
What are the key properties of 6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 341.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).