2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one

C20H20F3N5O — CID 137029175

IUPAC2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2nnn3c2CCCC3(C)c2ccc(C(F)(F)F)cc2C)cc(=O)[nH]1
InChIInChI=1S/C20H20F3N5O/c1-11-9-13(20(21,22)23)6-7-14(11)19(3)8-4-5-16-18(26-27-28(16)19)15-10-17(29)25-12(2)24-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,24,25,29)
InChIKeyZWRPJPDECJUJLK-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.76
Rot. Bonds2

About 2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one (PubChem CID 137029175) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one
PubChem CID137029175
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2nnn3c2CCCC3(C)c2ccc(C(F)(F)F)cc2C)cc(=O)[nH]1
InChIInChI=1S/C20H20F3N5O/c1-11-9-13(20(21,22)23)6-7-14(11)19(3)8-4-5-16-18(26-27-28(16)19)15-10-17(29)25-12(2)24-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,24,25,29)
InChIKeyZWRPJPDECJUJLK-UHFFFAOYSA-N
XLogP3.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-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

4-[(6R)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-4,5-dihydropyrrolo[1,2-c]triazol-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137029193
4-[7-ethyl-7-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137029163
2-methyl-4-[(7R)-7-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one
CID 137029255
2-methyl-6-[(7S)-7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one
CID 146676805
N'-methyl-N-[(Z)-1-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-3-oxoprop-1-enyl]ethanimidamide
CID 166695919
4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 137026644
4-[5-butyl-1-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]triazol-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 137029182
4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 102751652
3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 102755976
2-methyl-4-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137026692
4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one
CID 135619683
4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 102752194

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one (CID 137029175) is 2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one is Cc1nc(-c2nnn3c2CCCC3(C)c2ccc(C(F)(F)F)cc2C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is ZWRPJPDECJUJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-11-9-13(20(21,22)23)6-7-14(11)19(3)8-4-5-16-18(26-27-28(16)19)15-10-17(29)25-12(2)24-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,24,25,29).
What are the key properties of 2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 403.41 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137029175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).