1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C70H78N12O8 — CID 164957269

IUPAC1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESC=Cc1cncc2c(-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)cccc12.COc1ccc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc12.COc1cncc2c(-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)cccc12
InChIInChI=1S/C24H26N4O2.2C23H26N4O3/c1-3-17-13-25-14-21-19(17)5-4-6-20(21)24-22-15-27(16(2)29)10-7-23(22)28(26-24)18-8-11-30-12-9-18;1-15(28)26-10-6-21-20(14-26)23(25-27(21)16-7-11-30-12-8-16)18-3-4-22(29-2)17-5-9-24-13-19(17)18;1-15(28)26-9-6-21-20(14-26)23(25-27(21)16-7-10-30-11-8-16)18-5-3-4-17-19(18)12-24-13-22(17)29-2/h3-6,13-14,18H,1,7-12,15H2,2H3;3-5,9,13,16H,6-8,10-12,14H2,1-2H3;3-5,12-13,16H,6-11,14H2,1-2H3
InChIKeyBIQAQLVWAAZCBU-UHFFFAOYSA-N
MW1215.47 g/mol
LogP10.72
Rot. Bonds9

About 1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 164957269) has the molecular formula C70H78N12O8 and a molecular weight of 1215.47 g/mol. Its IUPAC name is 1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID164957269
Molecular FormulaC70H78N12O8
Molecular Weight1215.47 g/mol
Exact Mass1214.61
IUPAC Name1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESC=Cc1cncc2c(-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)cccc12.COc1ccc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc12.COc1cncc2c(-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)cccc12
InChIInChI=1S/C24H26N4O2.2C23H26N4O3/c1-3-17-13-25-14-21-19(17)5-4-6-20(21)24-22-15-27(16(2)29)10-7-23(22)28(26-24)18-8-11-30-12-9-18;1-15(28)26-10-6-21-20(14-26)23(25-27(21)16-7-11-30-12-8-16)18-3-4-22(29-2)17-5-9-24-13-19(17)18;1-15(28)26-9-6-21-20(14-26)23(25-27(21)16-7-10-30-11-8-16)18-5-3-4-17-19(18)12-24-13-22(17)29-2/h3-6,13-14,18H,1,7-12,15H2,2H3;3-5,9,13,16H,6-8,10-12,14H2,1-2H3;3-5,12-13,16H,6-11,14H2,1-2H3
InChIKeyBIQAQLVWAAZCBU-UHFFFAOYSA-N
XLogP10.72
TPSA199.21 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001215.47
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132169005
1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132186767
1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132186773
8-fluoro-5-methyl-6-(3-propan-2-ylphenyl)-3,4-dihydro-2H-chromene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;2-methoxy-5-(3-propan-2-ylphenyl)pyridine;3-methoxy-4-(3-propan-2-ylphenyl)pyridine;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;2-methyl-3-(3-propan-2-ylphenyl)pyridine;2-methyl-4-(3-propan-2-ylphenyl)pyridine;2-methyl-3-(3-propan-2-ylphenyl)quinoline;1-propan-2-yl-3-[2-(trifluoromethyl)phenyl]benzene
CID 157153647
2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[(1S)-1-methyl-7-[6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 159073405
2,2,2-trifluoro-1-[8-methoxy-6-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 176892497
1-[1-(oxan-4-yl)-3-(5-phenylmethoxyisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132169305
1-[3-[6-[(4S)-4-[5-acetyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]oxolan-2-yl]-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132186530
1-[3-[6-[[4-[5-acetyl-3-(6-methoxyisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]oxan-2-yl]methyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132186877
1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol
CID 157086038
CID 157853018
CID 157853018
1-[(3R)-3-[3-[4-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-fluoro-2-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 158702566

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 164957269) is 1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is C=Cc1cncc2c(-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)cccc12.COc1ccc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc12.COc1cncc2c(-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)cccc12.
What is the InChIKey of 1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is BIQAQLVWAAZCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.2C23H26N4O3/c1-3-17-13-25-14-21-19(17)5-4-6-20(21)24-22-15-27(16(2)29)10-7-23(22)28(26-24)18-8-11-30-12-9-18;1-15(28)26-10-6-21-20(14-26)23(25-27(21)16-7-11-30-12-8-16)18-3-4-22(29-2)17-5-9-24-13-19(17)18;1-15(28)26-9-6-21-20(14-26)23(25-27(21)16-7-10-30-11-8-16)18-5-3-4-17-19(18)12-24-13-22(17)29-2/h3-6,13-14,18H,1,7-12,15H2,2H3;3-5,9,13,16H,6-8,10-12,14H2,1-2H3;3-5,12-13,16H,6-11,14H2,1-2H3.
What are the key properties of 1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1215.47 g/mol, XLogP of 10.72, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(4-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 164957269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).