2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

C16H19FN4O — CID 125155908

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESCc1cc(N)n(CC(=O)N2CCc3ccc(F)cc3[C@H]2C)n1
InChIInChI=1S/C16H19FN4O/c1-10-7-15(18)21(19-10)9-16(22)20-6-5-12-3-4-13(17)8-14(12)11(20)2/h3-4,7-8,11H,5-6,9,18H2,1-2H3/t11-/m1/s1
InChIKeyMRABAGZRCKDXJM-LLVKDONJSA-N
MW302.35 g/mol
LogP2.06
Rot. Bonds2

About 2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (PubChem CID 125155908) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
PubChem CID125155908
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESCc1cc(N)n(CC(=O)N2CCc3ccc(F)cc3[C@H]2C)n1
InChIInChI=1S/C16H19FN4O/c1-10-7-15(18)21(19-10)9-16(22)20-6-5-12-3-4-13(17)8-14(12)11(20)2/h3-4,7-8,11H,5-6,9,18H2,1-2H3/t11-/m1/s1
InChIKeyMRABAGZRCKDXJM-LLVKDONJSA-N
XLogP2.06
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone with MolForge

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Related Compounds

(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-2H-triazol-4-yl)methanone
CID 118766923
1-[(1S)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 96521690
1-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 86954623
2-(3,4-dimethylphenoxy)-1-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86954610
2-(5-amino-3-methylpyrazol-1-yl)-1-[2-(3-fluorophenyl)azepan-1-yl]ethanone
CID 131912952
5-[3-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 118793447
1-[3-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]azepan-2-one
CID 125160342
(2,4-difluorophenyl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 86954607
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone
CID 86954667
7-bromo-4-[2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 86954449
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-1-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86954644
2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 71585726

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (CID 125155908) is 2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is Cc1cc(N)n(CC(=O)N2CCc3ccc(F)cc3[C@H]2C)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The InChIKey is MRABAGZRCKDXJM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-10-7-15(18)21(19-10)9-16(22)20-6-5-12-3-4-13(17)8-14(12)11(20)2/h3-4,7-8,11H,5-6,9,18H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone has a molecular weight of 302.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is sourced from PubChem (CID 125155908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).