2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one

C24H23ClF3N5O — CID 136598951

IUPAC2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
SMILESCC1CN(Cc2ccc(Cl)cc2)CC1C1=NC2=CN(c3ccc(C(F)(F)F)cc3)CN2C(=O)N1
InChIInChI=1S/C24H23ClF3N5O/c1-15-10-31(11-16-2-6-18(25)7-3-16)12-20(15)22-29-21-13-32(14-33(21)23(34)30-22)19-8-4-17(5-9-19)24(26,27)28/h2-9,13,15,20H,10-12,14H2,1H3,(H,29,30,34)
InChIKeyKUOBYTICLWGTPZ-UHFFFAOYSA-N
MW489.93 g/mol
LogP5.13
Rot. Bonds4

About 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one

2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one (PubChem CID 136598951) has the molecular formula C24H23ClF3N5O and a molecular weight of 489.93 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
PubChem CID136598951
Molecular FormulaC24H23ClF3N5O
Molecular Weight489.93 g/mol
Exact Mass489.15
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
SMILESCC1CN(Cc2ccc(Cl)cc2)CC1C1=NC2=CN(c3ccc(C(F)(F)F)cc3)CN2C(=O)N1
InChIInChI=1S/C24H23ClF3N5O/c1-15-10-31(11-16-2-6-18(25)7-3-16)12-20(15)22-29-21-13-32(14-33(21)23(34)30-22)19-8-4-17(5-9-19)24(26,27)28/h2-9,13,15,20H,10-12,14H2,1H3,(H,29,30,34)
InChIKeyKUOBYTICLWGTPZ-UHFFFAOYSA-N
XLogP5.13
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.93
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-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-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 136610900
2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(2-methylphenyl)-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 136610922
2-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-yl]-7-(oxan-4-yl)-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 136598877
2-[1-(1H-benzimidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-7-(4-methylphenyl)-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 136952675
2-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylpyrrolidin-3-yl]-7-(oxan-4-yl)-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 136598869
5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122121535
2-[4-methyl-1-(2-pyrimidin-2-ylethyl)pyrrolidin-3-yl]-7-(oxan-4-yl)-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 136952671
ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 177060331
3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080813
(3aS,7aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 57116775
2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-(4,4-difluorocyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136621736
3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine
CID 134790701

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one (CID 136598951) is 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one is CC1CN(Cc2ccc(Cl)cc2)CC1C1=NC2=CN(c3ccc(C(F)(F)F)cc3)CN2C(=O)N1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is KUOBYTICLWGTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N5O/c1-15-10-31(11-16-2-6-18(25)7-3-16)12-20(15)22-29-21-13-32(14-33(21)23(34)30-22)19-8-4-17(5-9-19)24(26,27)28/h2-9,13,15,20H,10-12,14H2,1H3,(H,29,30,34).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 489.93 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 136598951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).