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

C17H13BrClN3O — CID 68801681

IUPAC(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESO=C(c1cc2ccc(Cl)cn2n1)N1CCc2c(Br)cccc2C1
InChIInChI=1S/C17H13BrClN3O/c18-15-3-1-2-11-9-21(7-6-14(11)15)17(23)16-8-13-5-4-12(19)10-22(13)20-16/h1-5,8,10H,6-7,9H2
InChIKeySLBFYJHPORETBP-UHFFFAOYSA-N
MW390.67 g/mol
LogP3.95
Rot. Bonds1

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

(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone (PubChem CID 68801681) has the molecular formula C17H13BrClN3O and a molecular weight of 390.67 g/mol. Its IUPAC name is (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
PubChem CID68801681
Molecular FormulaC17H13BrClN3O
Molecular Weight390.67 g/mol
Exact Mass388.99
IUPAC Name(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESO=C(c1cc2ccc(Cl)cn2n1)N1CCc2c(Br)cccc2C1
InChIInChI=1S/C17H13BrClN3O/c18-15-3-1-2-11-9-21(7-6-14(11)15)17(23)16-8-13-5-4-12(19)10-22(13)20-16/h1-5,8,10H,6-7,9H2
InChIKeySLBFYJHPORETBP-UHFFFAOYSA-N
XLogP3.95
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone with MolForge

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Related Compounds

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68799749
(3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
CID 68799764
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68798497
(6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
CID 68800895
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
CID 68802236
5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 128960292
(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)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 68801749
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
CID 87675194
N-[2-(6-chloropyrazolo[1,5-a]pyridine-2-carbonyl)-1-methyl-3,4-dihydrocinnolin-8-yl]acetamide
CID 68801997
(6-bromo-1-methyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
CID 68801998
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68800281

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The IUPAC name of (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone (CID 68801681) is (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone.
What is the SMILES notation for (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The canonical SMILES for (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone is O=C(c1cc2ccc(Cl)cn2n1)N1CCc2c(Br)cccc2C1.
What is the InChIKey of (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The InChIKey is SLBFYJHPORETBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O/c18-15-3-1-2-11-9-21(7-6-14(11)15)17(23)16-8-13-5-4-12(19)10-22(13)20-16/h1-5,8,10H,6-7,9H2.
What are the key properties of (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone has a molecular weight of 390.67 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone is sourced from PubChem (CID 68801681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).