3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

C27H19F3N4O — CID 4770796

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESO=C(c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12)N1CCc2ccccc2C1
InChIInChI=1S/C27H19F3N4O/c28-27(29,30)24-14-23(21-11-5-9-18-7-3-4-10-20(18)21)32-25-22(15-31-34(24)25)26(35)33-13-12-17-6-1-2-8-19(17)16-33/h1-11,14-15H,12-13,16H2
InChIKeyKRLJIISZGWOKGW-UHFFFAOYSA-N
MW472.47 g/mol
LogP5.77
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 4770796) has the molecular formula C27H19F3N4O and a molecular weight of 472.47 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID4770796
Molecular FormulaC27H19F3N4O
Molecular Weight472.47 g/mol
Exact Mass472.15
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESO=C(c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12)N1CCc2ccccc2C1
InChIInChI=1S/C27H19F3N4O/c28-27(29,30)24-14-23(21-11-5-9-18-7-3-4-10-20(18)21)32-25-22(15-31-34(24)25)26(35)33-13-12-17-6-1-2-8-19(17)16-33/h1-11,14-15H,12-13,16H2
InChIKeyKRLJIISZGWOKGW-UHFFFAOYSA-N
XLogP5.77
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-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

5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020408
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 4769353
(2-methyl-2,3-dihydroindol-1-yl)-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 4771282
[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19441656
N-cycloheptyl-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460161
5-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460174
methyl 3-chloro-6-[[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 19461964
3,4-dihydro-1H-isoquinolin-2-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 1219631
ethyl 5-[[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19460205
5-naphthalen-1-yl-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19461927
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460145
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19461919

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 4770796) is 3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is O=C(c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is KRLJIISZGWOKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N4O/c28-27(29,30)24-14-23(21-11-5-9-18-7-3-4-10-20(18)21)32-25-22(15-31-34(24)25)26(35)33-13-12-17-6-1-2-8-19(17)16-33/h1-11,14-15H,12-13,16H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 472.47 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 4770796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).