(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene

C22H24N4O — CID 145178774

IUPAC(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene
SMILESC=C.C[C@@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)n2nccc2n1
InChIInChI=1S/C20H20N4O.C2H4/c1-13-16-5-3-2-4-14(16)9-11-23(13)20(25)17-12-18(15-6-7-15)24-19(22-17)8-10-21-24;1-2/h2-5,8,10,12-13,15H,6-7,9,11H2,1H3;1-2H2/t13-;/m1./s1
InChIKeyWJEIQMAEQXKWBN-BTQNPOSSSA-N
MW360.46 g/mol
LogP4.17
Rot. Bonds2

About (7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene

(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene (PubChem CID 145178774) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene.

Molecular Properties

Compound Name(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene
PubChem CID145178774
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene
SMILESC=C.C[C@@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)n2nccc2n1
InChIInChI=1S/C20H20N4O.C2H4/c1-13-16-5-3-2-4-14(16)9-11-23(13)20(25)17-12-18(15-6-7-15)24-19(22-17)8-10-21-24;1-2/h2-5,8,10,12-13,15H,6-7,9,11H2,1H3;1-2H2/t13-;/m1./s1
InChIKeyWJEIQMAEQXKWBN-BTQNPOSSSA-N
XLogP4.17
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene?
The IUPAC name of (7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene (CID 145178774) is (7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene.
What is the SMILES notation for (7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene?
The canonical SMILES for (7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene is C=C.C[C@@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)n2nccc2n1.
What is the InChIKey of (7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene?
The InChIKey is WJEIQMAEQXKWBN-BTQNPOSSSA-N. The full InChI is InChI=1S/C20H20N4O.C2H4/c1-13-16-5-3-2-4-14(16)9-11-23(13)20(25)17-12-18(15-6-7-15)24-19(22-17)8-10-21-24;1-2/h2-5,8,10,12-13,15H,6-7,9,11H2,1H3;1-2H2/t13-;/m1./s1.
What are the key properties of (7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene?
(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene has a molecular weight of 360.46 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene is sourced from PubChem (CID 145178774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).