Molecules/5-Ethoxy-1-(6-(3-methyl-2-(5-methyl-2-(tetrahydro-pyran-4-yl)-1,2,3,4-tetrahydro-isoquinolin-6-ylmethoxy)-phenyl)-pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
5-Ethoxy-1-(6-(3-methyl-2-(5-methyl-2-(tetrahydro-pyran-4-yl)-1,2,3,4-tetrahydro-isoquinolin-6-ylmethoxy)-phenyl)-pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
5-ethoxy-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid
Molecular Identity
5-Ethoxy-1-(6-(3-methyl-2-(5-methyl-2-(tetrahydro-pyran-4-yl)-1,2,3,4-tetrahydro-isoquinolin-6-ylmethoxy)-phenyl)-pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
5-ethoxy-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid
PubChem CID: 89992620
2D Structure
Properties
C34H38N4O5
Molecular Formula
582.70
Molecular Weight
g/mol
582.2842
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
98.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
904
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1=C(C=NN1C2=CC=CC(=N2)C3=CC=CC(=C3OCC4=C(C5=C(CN(CC5)C6CCOCC6)C=C4)C)C)C(=O)OIsomeric SMILES
SMILES: CCOC1=C(C=NN1C2=CC=CC(=N2)C3=CC=CC(=C3OCC4=C(C5=C(CN(CC5)C6CCOCC6)C=C4)C)C)C(=O)OSynonyms(20)
1579514-06-95-Ethoxy-1-(6-(3-methyl-2-(5-methyl-2-(tetrahydro-pyran-4-yl)-1,2,3,4-tetrahydro-isoquinolin-6-ylmethoxy)-phenyl)-pyridin-2-yl)-1H-pyrazole-4-carboxylic acid5-Ethoxy-1-(6-{3-methyl-2-[5-methyl-2-(tetrahydro-pyran-4-yl)-1,2,3,4-tetrahydro-isoquinolin-6-ylmethoxy]-phenyl}-pyridin-2-yl)-1H-pyrazole-4-carboxylic acidRefChem:535414814-547-5AvenciguatBI-685509BI6855095-Ethoxy-1-[6-[3-methyl-2-[[1,2,3,4-tetrahydro-5-methyl-2-(tetrahydro-2H-pyran-4-yl)-6-isoquinolinyl]methoxy]phenyl]-2-pyridinyl]-1H-pyrazole-4-carboxylic acidavenciguat [INN]ZA7KTB4PSPAvenciguat (USAN/INN)AVENCIGUAT [USAN]orb1744256CHEMBL5314503
Data from PubChem (NCBI)
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Molecular Structure
5-Ethoxy-1-(6-(3-methyl-2-(5-methyl-2-(tetrahydro-pyran-4-yl)-1,2,3,4-tetrahydro-isoquinolin-6-ylmethoxy)-phenyl)-pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
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Drug Network
Trials and conditions connected to 5-Ethoxy-1-(6-(3-methyl-2-(5-methyl-2-(tetrahydro-pyran-4-yl)-1,2,3,4-tetrahydro-isoquinolin-6-ylmethoxy)-phenyl)-pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
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