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

C17H15BrN4O — CID 24810525

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESC[C@@H]1Cc2ccccc2CN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C17H15BrN4O/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/t11-/m1/s1
InChIKeyYXZGJHCOMMYPIM-LLVKDONJSA-N
MW371.24 g/mol
LogP3.08
Rot. Bonds1

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

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 24810525) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID24810525
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESC[C@@H]1Cc2ccccc2CN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C17H15BrN4O/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/t11-/m1/s1
InChIKeyYXZGJHCOMMYPIM-LLVKDONJSA-N
XLogP3.08
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810834
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R,4S)-1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416395
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24811821
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 24810632
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810413
(6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 24810730
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416501
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
CID 24899497
3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one
CID 110750155
methyl 2-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-methyl-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 58416347
(3-bromo-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 24897016
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 58416368

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 24810525) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is YXZGJHCOMMYPIM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15BrN4O/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/t11-/m1/s1.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 371.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 24810525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).