(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone

C22H22BrN5O2 — CID 143619278

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone
SMILESCc1noc(C)c1C1=CCCC2=C1C(C)N(C(=O)c1cc3ncc(Br)cn3n1)CC2
InChIInChI=1S/C22H22BrN5O2/c1-12-20(14(3)30-26-12)17-6-4-5-15-7-8-27(13(2)21(15)17)22(29)18-9-19-24-10-16(23)11-28(19)25-18/h6,9-11,13H,4-5,7-8H2,1-3H3
InChIKeyOCYYUIUULNQSDQ-UHFFFAOYSA-N
MW468.36 g/mol
LogP4.51
Rot. Bonds2

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone (PubChem CID 143619278) has the molecular formula C22H22BrN5O2 and a molecular weight of 468.36 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone
PubChem CID143619278
Molecular FormulaC22H22BrN5O2
Molecular Weight468.36 g/mol
Exact Mass467.10
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone
SMILESCc1noc(C)c1C1=CCCC2=C1C(C)N(C(=O)c1cc3ncc(Br)cn3n1)CC2
InChIInChI=1S/C22H22BrN5O2/c1-12-20(14(3)30-26-12)17-6-4-5-15-7-8-27(13(2)21(15)17)22(29)18-9-19-24-10-16(23)11-28(19)25-18/h6,9-11,13H,4-5,7-8H2,1-3H3
InChIKeyOCYYUIUULNQSDQ-UHFFFAOYSA-N
XLogP4.51
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone with MolForge

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Related Compounds

(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)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 59663094
(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)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 58416368
(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)-(8-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810413
(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)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24899492
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 24810632
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)-(1-hydroxy-2,6-dimethyl-8,9-dihydro-6H-pyrrolo[3,4-f]isoquinolin-7-yl)methanone
CID 91257618
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R,4S)-1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416395

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone (CID 143619278) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone is Cc1noc(C)c1C1=CCCC2=C1C(C)N(C(=O)c1cc3ncc(Br)cn3n1)CC2.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is OCYYUIUULNQSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN5O2/c1-12-20(14(3)30-26-12)17-6-4-5-15-7-8-27(13(2)21(15)17)22(29)18-9-19-24-10-16(23)11-28(19)25-18/h6,9-11,13H,4-5,7-8H2,1-3H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 468.36 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 143619278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).