(1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline

C17H20FN3 — CID 124750999

IUPAC(1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1nccc(CN2CCc3ccc(F)cc3[C@H]2C)n1
InChIInChI=1S/C17H20FN3/c1-3-17-19-8-6-15(20-17)11-21-9-7-13-4-5-14(18)10-16(13)12(21)2/h4-6,8,10,12H,3,7,9,11H2,1-2H3/t12-/m1/s1
InChIKeyFOWZLTLZSOTYGK-GFCCVEGCSA-N
MW285.37 g/mol
LogP3.30
Rot. Bonds3

About (1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline

(1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 124750999) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is (1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID124750999
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name(1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1nccc(CN2CCc3ccc(F)cc3[C@H]2C)n1
InChIInChI=1S/C17H20FN3/c1-3-17-19-8-6-15(20-17)11-21-9-7-13-4-5-14(18)10-16(13)12(21)2/h4-6,8,10,12H,3,7,9,11H2,1-2H3/t12-/m1/s1
InChIKeyFOWZLTLZSOTYGK-GFCCVEGCSA-N
XLogP3.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-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

5-cyclopropyl-3-[[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2-oxazole
CID 124756545
7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 86959190
(2R)-1-[(2-ethylpyrimidin-4-yl)methyl]-2-(3-fluorophenyl)azepane
CID 99930686
2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 86959173
3-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 86959280
2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 86959144
2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 91838424
5-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 86959237
7-fluoro-1-methyl-2-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 135111864
2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-pentylacetamide
CID 86960313
7-fluoro-1-methyl-2-[2-(2-nitrophenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 86959240
2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 77091401

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline (CID 124750999) is (1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline is CCc1nccc(CN2CCc3ccc(F)cc3[C@H]2C)n1.
What is the InChIKey of (1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is FOWZLTLZSOTYGK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20FN3/c1-3-17-19-8-6-15(20-17)11-21-9-7-13-4-5-14(18)10-16(13)12(21)2/h4-6,8,10,12H,3,7,9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline?
(1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 285.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 124750999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).