(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C17H15ClN4O — CID 24810834

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1Cc2ccccc2CN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C17H15ClN4O/c1-11-6-12-4-2-3-5-13(12)9-21(11)17(23)15-7-16-19-8-14(18)10-22(16)20-15/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyGHWGMUDNNTUZEM-UHFFFAOYSA-N
MW326.79 g/mol
LogP2.97
Rot. Bonds1

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 24810834) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID24810834
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1Cc2ccccc2CN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C17H15ClN4O/c1-11-6-12-4-2-3-5-13(12)9-21(11)17(23)15-7-16-19-8-14(18)10-22(16)20-15/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyGHWGMUDNNTUZEM-UHFFFAOYSA-N
XLogP2.97
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 24810834) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is CC1Cc2ccccc2CN1C(=O)c1cc2ncc(Cl)cn2n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is GHWGMUDNNTUZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-11-6-12-4-2-3-5-13(12)9-21(11)17(23)15-7-16-19-8-14(18)10-22(16)20-15/h2-5,7-8,10-11H,6,9H2,1H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 326.79 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 24810834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).