[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C24H22F2N6O — CID 177169465

IUPAC[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCc1c(C2CN(C(=O)c3nnn(-c4ccc(F)cc4F)c3C)Cc3ccccc32)cnn1C
InChIInChI=1S/C24H22F2N6O/c1-14-19(11-27-30(14)3)20-13-31(12-16-6-4-5-7-18(16)20)24(33)23-15(2)32(29-28-23)22-9-8-17(25)10-21(22)26/h4-11,20H,12-13H2,1-3H3
InChIKeyBKRAXHBDHMKZTN-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.68
Rot. Bonds3

About [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 177169465) has the molecular formula C24H22F2N6O and a molecular weight of 448.48 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID177169465
Molecular FormulaC24H22F2N6O
Molecular Weight448.48 g/mol
Exact Mass448.18
IUPAC Name[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCc1c(C2CN(C(=O)c3nnn(-c4ccc(F)cc4F)c3C)Cc3ccccc32)cnn1C
InChIInChI=1S/C24H22F2N6O/c1-14-19(11-27-30(14)3)20-13-31(12-16-6-4-5-7-18(16)20)24(33)23-15(2)32(29-28-23)22-9-8-17(25)10-21(22)26/h4-11,20H,12-13H2,1-3H3
InChIKeyBKRAXHBDHMKZTN-UHFFFAOYSA-N
XLogP3.68
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone 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

[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 177169460
[4-(5-chloro-1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methanone
CID 171648826
4-(1,5-dimethylpyrazol-4-yl)-N-pentyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 171648474
[5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
CID 168934023
4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 171648490
[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 168934065
3-(4-bromophenyl)-1-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 171648473
2-cyclohexylethyl 4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 171648489
2-(2,4-difluorophenyl)-1-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 121198507
[4-(5-chloro-1-methylpyrazol-4-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(2,4-difluorophenyl)triazol-4-yl]methanone
CID 171489190
[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 37100545
N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 7184924

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 177169465) is [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is Cc1c(C2CN(C(=O)c3nnn(-c4ccc(F)cc4F)c3C)Cc3ccccc32)cnn1C.
What is the InChIKey of [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is BKRAXHBDHMKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O/c1-14-19(11-27-30(14)3)20-13-31(12-16-6-4-5-7-18(16)20)24(33)23-15(2)32(29-28-23)22-9-8-17(25)10-21(22)26/h4-11,20H,12-13H2,1-3H3.
What are the key properties of [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 448.48 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 177169465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).