[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone

C24H23N3O3S — CID 41082954

IUPAC[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCOc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cn3c(C)cccc3n1)CC2
InChIInChI=1S/C24H23N3O3S/c1-15-6-4-8-22-25-18(14-27(15)22)24(28)26-10-9-16-12-19(29-2)20(30-3)13-17(16)23(26)21-7-5-11-31-21/h4-8,11-14,23H,9-10H2,1-3H3/t23-/m0/s1
InChIKeyAPGVEWYPQBXYSU-QHCPKHFHSA-N
MW433.53 g/mol
LogP4.51
Rot. Bonds4

About [(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone

[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 41082954) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is [(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID41082954
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCOc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cn3c(C)cccc3n1)CC2
InChIInChI=1S/C24H23N3O3S/c1-15-6-4-8-22-25-18(14-27(15)22)24(28)26-10-9-16-12-19(29-2)20(30-3)13-17(16)23(26)21-7-5-11-31-21/h4-8,11-14,23H,9-10H2,1-3H3/t23-/m0/s1
InChIKeyAPGVEWYPQBXYSU-QHCPKHFHSA-N
XLogP4.51
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone with MolForge

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Related Compounds

(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 3250273
6-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one
CID 42999561
[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(4-fluorophenyl)methanone
CID 7428196
[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 2348550
[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(2-fluorophenyl)methanone
CID 8504259
1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanylethanone
CID 112793874
[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 94332679
(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone
CID 46677389
(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluoro-4-pyridinyl)methanone
CID 47084339
(5-bromofuran-2-yl)-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 16547005
2H-benzotriazol-5-yl-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 41082696
(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone
CID 55433581

Frequently Asked Questions

What is the IUPAC name of [(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 41082954) is [(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone is COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cn3c(C)cccc3n1)CC2.
What is the InChIKey of [(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is APGVEWYPQBXYSU-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-15-6-4-8-22-25-18(14-27(15)22)24(28)26-10-9-16-12-19(29-2)20(30-3)13-17(16)23(26)21-7-5-11-31-21/h4-8,11-14,23H,9-10H2,1-3H3/t23-/m0/s1.
What are the key properties of [(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 433.53 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 41082954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).