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

C18H15Br2N3O — CID 68799758

IUPAC(6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESCC1c2ccc(Br)cc2CCN1C(=O)c1cc2ccc(Br)cn2n1
InChIInChI=1S/C18H15Br2N3O/c1-11-16-5-3-13(19)8-12(16)6-7-22(11)18(24)17-9-15-4-2-14(20)10-23(15)21-17/h2-5,8-11H,6-7H2,1H3
InChIKeyWGASOKFZVJAIRV-UHFFFAOYSA-N
MW449.15 g/mol
LogP4.62
Rot. Bonds1

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

(6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone (PubChem CID 68799758) has the molecular formula C18H15Br2N3O and a molecular weight of 449.15 g/mol. Its IUPAC name is (6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone
PubChem CID68799758
Molecular FormulaC18H15Br2N3O
Molecular Weight449.15 g/mol
Exact Mass446.96
IUPAC Name(6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESCC1c2ccc(Br)cc2CCN1C(=O)c1cc2ccc(Br)cn2n1
InChIInChI=1S/C18H15Br2N3O/c1-11-16-5-3-13(19)8-12(16)6-7-22(11)18(24)17-9-15-4-2-14(20)10-23(15)21-17/h2-5,8-11H,6-7H2,1H3
InChIKeyWGASOKFZVJAIRV-UHFFFAOYSA-N
XLogP4.62
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.15
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone?
The IUPAC name of (6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone (CID 68799758) is (6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone.
What is the SMILES notation for (6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone?
The canonical SMILES for (6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone is CC1c2ccc(Br)cc2CCN1C(=O)c1cc2ccc(Br)cn2n1.
What is the InChIKey of (6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone?
The InChIKey is WGASOKFZVJAIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2N3O/c1-11-16-5-3-13(19)8-12(16)6-7-22(11)18(24)17-9-15-4-2-14(20)10-23(15)21-17/h2-5,8-11H,6-7H2,1H3.
What are the key properties of (6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone?
(6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone has a molecular weight of 449.15 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone is sourced from PubChem (CID 68799758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).