(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C18H16BrN3O3 — CID 68798702

IUPAC(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1cc2c(cc1O)CCN(C(=O)c1cc3ccc(Br)cn3n1)C2
InChIInChI=1S/C18H16BrN3O3/c1-25-17-7-12-9-21(5-4-11(12)6-16(17)23)18(24)15-8-14-3-2-13(19)10-22(14)20-15/h2-3,6-8,10,23H,4-5,9H2,1H3
InChIKeyMMXSWDKTOKQTQD-UHFFFAOYSA-N
MW402.25 g/mol
LogP3.01
Rot. Bonds2

About (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 68798702) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID68798702
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1cc2c(cc1O)CCN(C(=O)c1cc3ccc(Br)cn3n1)C2
InChIInChI=1S/C18H16BrN3O3/c1-25-17-7-12-9-21(5-4-11(12)6-16(17)23)18(24)15-8-14-3-2-13(19)10-22(14)20-15/h2-3,6-8,10,23H,4-5,9H2,1H3
InChIKeyMMXSWDKTOKQTQD-UHFFFAOYSA-N
XLogP3.01
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68801630
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68798497
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one
CID 121066932
(6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone
CID 68799758
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-3-ylmethanone
CID 110855244
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one
CID 38209008
(5-bromothiophen-2-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 26887367
(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200585
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
CID 68801681
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 68798702) is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is COc1cc2c(cc1O)CCN(C(=O)c1cc3ccc(Br)cn3n1)C2.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is MMXSWDKTOKQTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-25-17-7-12-9-21(5-4-11(12)6-16(17)23)18(24)15-8-14-3-2-13(19)10-22(14)20-15/h2-3,6-8,10,23H,4-5,9H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 402.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 68798702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).