5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride

C17H19ClN4O — CID 66624475

IUPAC5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCc1nc2cc(C3Cc4ccccc4CN3)[nH]n2c(=O)c1C.Cl
InChIInChI=1S/C17H18N4O.ClH/c1-10-11(2)19-16-8-15(20-21(16)17(10)22)14-7-12-5-3-4-6-13(12)9-18-14;/h3-6,8,14,18,20H,7,9H2,1-2H3;1H
InChIKeyGEKQQAAGISSXAI-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.45
Rot. Bonds1

About 5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride

5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride (PubChem CID 66624475) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
PubChem CID66624475
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCc1nc2cc(C3Cc4ccccc4CN3)[nH]n2c(=O)c1C.Cl
InChIInChI=1S/C17H18N4O.ClH/c1-10-11(2)19-16-8-15(20-21(16)17(10)22)14-7-12-5-3-4-6-13(12)9-18-14;/h3-6,8,14,18,20H,7,9H2,1-2H3;1H
InChIKeyGEKQQAAGISSXAI-UHFFFAOYSA-N
XLogP2.45
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The IUPAC name of 5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride (CID 66624475) is 5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride is Cc1nc2cc(C3Cc4ccccc4CN3)[nH]n2c(=O)c1C.Cl.
What is the InChIKey of 5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The InChIKey is GEKQQAAGISSXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.ClH/c1-10-11(2)19-16-8-15(20-21(16)17(10)22)14-7-12-5-3-4-6-13(12)9-18-14;/h3-6,8,14,18,20H,7,9H2,1-2H3;1H.
What are the key properties of 5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride has a molecular weight of 330.82 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 66624475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).