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

C17H16N4O — CID 84575628

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
SMILESCc1cc2nccc(C(=O)N3CCc4ccccc4C3)n2n1
InChIInChI=1S/C17H16N4O/c1-12-10-16-18-8-6-15(21(16)19-12)17(22)20-9-7-13-4-2-3-5-14(13)11-20/h2-6,8,10H,7,9,11H2,1H3
InChIKeySKJDEMAQVORJGT-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.24
Rot. Bonds1

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

3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone (PubChem CID 84575628) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
PubChem CID84575628
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
SMILESCc1cc2nccc(C(=O)N3CCc4ccccc4C3)n2n1
InChIInChI=1S/C17H16N4O/c1-12-10-16-18-8-6-15(21(16)19-12)17(22)20-9-7-13-4-2-3-5-14(13)11-20/h2-6,8,10H,7,9,11H2,1H3
InChIKeySKJDEMAQVORJGT-UHFFFAOYSA-N
XLogP2.24
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 43642494
[2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 46079869
3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 42758347
(3-methylphenyl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone
CID 90628348
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethylpyridine-4-carboxamide
CID 109087887
2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84576023
3,4-dihydro-1H-isoquinolin-2-yl-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 51085833
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109213782
3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,5-dimethylanilino)pyrimidin-4-yl]methanone
CID 109308122
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrimidine-4-carboxylic acid
CID 117212978
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone (CID 84575628) is 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone is Cc1cc2nccc(C(=O)N3CCc4ccccc4C3)n2n1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?
The InChIKey is SKJDEMAQVORJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-10-16-18-8-6-15(21(16)19-12)17(22)20-9-7-13-4-2-3-5-14(13)11-20/h2-6,8,10H,7,9,11H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone has a molecular weight of 292.34 g/mol, XLogP of 2.24, 1 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-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone is sourced from PubChem (CID 84575628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).