(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C63H57Br3N18O3 — CID 87688970

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCC1c2c(cccc2-c2cnn(C)c2)CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1c2cc(-c3cnn(C)c3)ccc2CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1c2ccc(-c3cnn(C)c3)cc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/3C21H19BrN6O/c1-13-18-4-3-14(16-9-24-26(2)11-16)7-15(18)5-6-27(13)21(29)19-8-20-23-10-17(22)12-28(20)25-19;1-13-18-7-15(16-9-24-26(2)11-16)4-3-14(18)5-6-27(13)21(29)19-8-20-23-10-17(22)12-28(20)25-19;1-13-20-14(4-3-5-17(20)15-9-24-26(2)11-15)6-7-27(13)21(29)18-8-19-23-10-16(22)12-28(19)25-18/h2*3-4,7-13H,5-6H2,1-2H3;3-5,8-13H,6-7H2,1-2H3
InChIKeyURUZWMHVYRCLER-UHFFFAOYSA-N
MW1353.98 g/mol
LogP10.96
Rot. Bonds6

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 87688970) has the molecular formula C63H57Br3N18O3 and a molecular weight of 1353.98 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID87688970
Molecular FormulaC63H57Br3N18O3
Molecular Weight1353.98 g/mol
Exact Mass1350.24
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCC1c2c(cccc2-c2cnn(C)c2)CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1c2cc(-c3cnn(C)c3)ccc2CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1c2ccc(-c3cnn(C)c3)cc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/3C21H19BrN6O/c1-13-18-4-3-14(16-9-24-26(2)11-16)7-15(18)5-6-27(13)21(29)19-8-20-23-10-17(22)12-28(20)25-19;1-13-18-7-15(16-9-24-26(2)11-16)4-3-14(18)5-6-27(13)21(29)19-8-20-23-10-17(22)12-28(20)25-19;1-13-20-14(4-3-5-17(20)15-9-24-26(2)11-15)6-7-27(13)21(29)18-8-19-23-10-16(22)12-28(19)25-18/h2*3-4,7-13H,5-6H2,1-2H3;3-5,8-13H,6-7H2,1-2H3
InChIKeyURUZWMHVYRCLER-UHFFFAOYSA-N
XLogP10.96
TPSA204.96 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001353.98
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 87688970) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is CC1c2c(cccc2-c2cnn(C)c2)CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1c2cc(-c3cnn(C)c3)ccc2CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1c2ccc(-c3cnn(C)c3)cc2CCN1C(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is URUZWMHVYRCLER-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H19BrN6O/c1-13-18-4-3-14(16-9-24-26(2)11-16)7-15(18)5-6-27(13)21(29)19-8-20-23-10-17(22)12-28(20)25-19;1-13-18-7-15(16-9-24-26(2)11-16)4-3-14(18)5-6-27(13)21(29)19-8-20-23-10-17(22)12-28(20)25-19;1-13-20-14(4-3-5-17(20)15-9-24-26(2)11-15)6-7-27(13)21(29)18-8-19-23-10-16(22)12-28(19)25-18/h2*3-4,7-13H,5-6H2,1-2H3;3-5,8-13H,6-7H2,1-2H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 1353.98 g/mol, XLogP of 10.96, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 87688970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).