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

C19H18ClN3O2 — CID 68801662

IUPAC(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1cc3ccc(Cl)cn3n1)C2C
InChIInChI=1S/C19H18ClN3O2/c1-12-17-6-5-16(25-2)9-13(17)7-8-22(12)19(24)18-10-15-4-3-14(20)11-23(15)21-18/h3-6,9-12H,7-8H2,1-2H3
InChIKeyUFSGLXBYZRGISI-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.76
Rot. Bonds2

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

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 68801662) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID68801662
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1cc3ccc(Cl)cn3n1)C2C
InChIInChI=1S/C19H18ClN3O2/c1-12-17-6-5-16(25-2)9-13(17)7-8-22(12)19(24)18-10-15-4-3-14(20)11-23(15)21-18/h3-6,9-12H,7-8H2,1-2H3
InChIKeyUFSGLXBYZRGISI-UHFFFAOYSA-N
XLogP3.76
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68800281
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 68801737
(4-chlorophenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314261
(6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone
CID 68799758
(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
(2-chlorophenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314259
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 68801749
(3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314237
(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 68801742
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 68801845
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone
CID 68801185
(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

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 68801662) is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is COc1ccc2c(c1)CCN(C(=O)c1cc3ccc(Cl)cn3n1)C2C.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is UFSGLXBYZRGISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-17-6-5-16(25-2)9-13(17)7-8-22(12)19(24)18-10-15-4-3-14(20)11-23(15)21-18/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 355.83 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 68801662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).