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

C15H18F3N5O — CID 135862434

IUPAC2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nn(C)c(C)c1CN1CCc2nc(C(F)(F)F)[nH]c(=O)c2C1
InChIInChI=1S/C15H18F3N5O/c1-8-10(9(2)22(3)21-8)6-23-5-4-12-11(7-23)13(24)20-14(19-12)15(16,17)18/h4-7H2,1-3H3,(H,19,20,24)
InChIKeyIOJLRYJTCKLPNI-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.70
Rot. Bonds2

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

2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862434) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135862434
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nn(C)c(C)c1CN1CCc2nc(C(F)(F)F)[nH]c(=O)c2C1
InChIInChI=1S/C15H18F3N5O/c1-8-10(9(2)22(3)21-8)6-23-5-4-12-11(7-23)13(24)20-14(19-12)15(16,17)18/h4-7H2,1-3H3,(H,19,20,24)
InChIKeyIOJLRYJTCKLPNI-UHFFFAOYSA-N
XLogP1.70
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049228
1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 60370453
N-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 75394935
N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114383711
N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 120409492
N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride
CID 120412069
N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide
CID 120412070
6-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861854
6-[(1-Tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862114
6-[(1,3-Dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862474
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

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862434) is 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nn(C)c(C)c1CN1CCc2nc(C(F)(F)F)[nH]c(=O)c2C1.
What is the InChIKey of 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is IOJLRYJTCKLPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-8-10(9(2)22(3)21-8)6-23-5-4-12-11(7-23)13(24)20-14(19-12)15(16,17)18/h4-7H2,1-3H3,(H,19,20,24).
What are the key properties of 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 341.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).