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

C23H20BrN3O2 — CID 68801591

IUPAC(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCc1ccc(-c2ccc3c(c2)C(C)N(C(=O)c2cc4ccc(Br)cn4n2)CC3)o1
InChIInChI=1S/C23H20BrN3O2/c1-14-3-8-22(29-14)17-5-4-16-9-10-26(15(2)20(16)11-17)23(28)21-12-19-7-6-18(24)13-27(19)25-21/h3-8,11-13,15H,9-10H2,1-2H3
InChIKeyTTXULXZVQQYOEE-UHFFFAOYSA-N
MW450.34 g/mol
LogP5.42
Rot. Bonds2

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

(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 68801591) has the molecular formula C23H20BrN3O2 and a molecular weight of 450.34 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID68801591
Molecular FormulaC23H20BrN3O2
Molecular Weight450.34 g/mol
Exact Mass449.07
IUPAC Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCc1ccc(-c2ccc3c(c2)C(C)N(C(=O)c2cc4ccc(Br)cn4n2)CC3)o1
InChIInChI=1S/C23H20BrN3O2/c1-14-3-8-22(29-14)17-5-4-16-9-10-26(15(2)20(16)11-17)23(28)21-12-19-7-6-18(24)13-27(19)25-21/h3-8,11-13,15H,9-10H2,1-2H3
InChIKeyTTXULXZVQQYOEE-UHFFFAOYSA-N
XLogP5.42
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.34
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone
CID 68799758
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(2-chloro-7-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)methanone
CID 68798826
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
CID 68801801
(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
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 68801737
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68800281
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone
CID 68801842
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 68801629
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416501
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 68799143
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68801662
(6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 24810730

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 68801591) is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is Cc1ccc(-c2ccc3c(c2)C(C)N(C(=O)c2cc4ccc(Br)cn4n2)CC3)o1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is TTXULXZVQQYOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O2/c1-14-3-8-22(29-14)17-5-4-16-9-10-26(15(2)20(16)11-17)23(28)21-12-19-7-6-18(24)13-27(19)25-21/h3-8,11-13,15H,9-10H2,1-2H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 450.34 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 68801591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).