1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

C20H17F3N4 — CID 133343923

IUPAC1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESCC1c2ccccc2CCN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1
InChIInChI=1S/C20H17F3N4/c1-13-16-7-3-2-5-14(16)8-10-27(13)18-11-17(20(21,22)23)25-19(26-18)15-6-4-9-24-12-15/h2-7,9,11-13H,8,10H2,1H3
InChIKeyBBKDMRJQYICCJF-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.68
Rot. Bonds2

About 1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 133343923) has the molecular formula C20H17F3N4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID133343923
Molecular FormulaC20H17F3N4
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESCC1c2ccccc2CCN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1
InChIInChI=1S/C20H17F3N4/c1-13-16-7-3-2-5-14(16)8-10-27(13)18-11-17(20(21,22)23)25-19(26-18)15-6-4-9-24-12-15/h2-7,9,11-13H,8,10H2,1H3
InChIKeyBBKDMRJQYICCJF-UHFFFAOYSA-N
XLogP4.68
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline 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

(3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 95629224
1-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048560
5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100675540
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine
CID 133336067
3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133325247
4-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine
CID 133422902
4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 71853934
N-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide
CID 126838705
1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
CID 153364917
8-bromo-2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133309018
6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170265
1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4,7-triazecan-8-one
CID 154784544

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline (CID 133343923) is 1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline is CC1c2ccccc2CCN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1.
What is the InChIKey of 1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is BBKDMRJQYICCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4/c1-13-16-7-3-2-5-14(16)8-10-27(13)18-11-17(20(21,22)23)25-19(26-18)15-6-4-9-24-12-15/h2-7,9,11-13H,8,10H2,1H3.
What are the key properties of 1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 370.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 133343923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).