(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C17H14BrFN4O — CID 58416501

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESC[C@@H]1c2cc(F)ccc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C17H14BrFN4O/c1-10-14-6-13(19)3-2-11(14)4-5-22(10)17(24)15-7-16-20-8-12(18)9-23(16)21-15/h2-3,6-10H,4-5H2,1H3/t10-/m1/s1
InChIKeyMAABCUSLTAXNRL-SNVBAGLBSA-N
MW389.23 g/mol
LogP3.39
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 58416501) has the molecular formula C17H14BrFN4O and a molecular weight of 389.23 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID58416501
Molecular FormulaC17H14BrFN4O
Molecular Weight389.23 g/mol
Exact Mass388.03
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESC[C@@H]1c2cc(F)ccc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C17H14BrFN4O/c1-10-14-6-13(19)3-2-11(14)4-5-22(10)17(24)15-7-16-20-8-12(18)9-23(16)21-15/h2-3,6-10H,4-5H2,1H3/t10-/m1/s1
InChIKeyMAABCUSLTAXNRL-SNVBAGLBSA-N
XLogP3.39
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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)-(8-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810413
methyl 2-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-methyl-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 58416347
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
CID 24899497
(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)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 58416368
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24899492
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-ethyl-7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810470
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416346
(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-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dichloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 58416367
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-hydroxy-2,6-dimethyl-8,9-dihydro-6H-pyrrolo[3,4-f]isoquinolin-7-yl)methanone
CID 91257618

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 58416501) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is C[C@@H]1c2cc(F)ccc2CCN1C(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is MAABCUSLTAXNRL-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14BrFN4O/c1-10-14-6-13(19)3-2-11(14)4-5-22(10)17(24)15-7-16-20-8-12(18)9-23(16)21-15/h2-3,6-10H,4-5H2,1H3/t10-/m1/s1.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 389.23 g/mol, XLogP of 3.39, 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)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 58416501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).