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

C70H78N12O7 — CID 164979217

IUPAC1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESC=Cc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1.CC(=O)N1CCc2c(c(-c3cc(C)cc4ccncc34)nn2C2CCOCC2)C1.COc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1
InChIInChI=1S/C24H26N4O2.C23H26N4O3.C23H26N4O2/c1-3-17-12-18-4-8-25-14-21(18)20(13-17)24-22-15-27(16(2)29)9-5-23(22)28(26-24)19-6-10-30-11-7-19;1-15(28)26-8-4-22-21(14-26)23(25-27(22)17-5-9-30-10-6-17)19-12-18(29-2)11-16-3-7-24-13-20(16)19;1-15-11-17-3-7-24-13-20(17)19(12-15)23-21-14-26(16(2)28)8-4-22(21)27(25-23)18-5-9-29-10-6-18/h3-4,8,12-14,19H,1,5-7,9-11,15H2,2H3;3,7,11-13,17H,4-6,8-10,14H2,1-2H3;3,7,11-13,18H,4-6,8-10,14H2,1-2H3
InChIKeyFFQDSKOESTUMFV-UHFFFAOYSA-N
MW1199.47 g/mol
LogP11.02
Rot. Bonds8

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

1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 164979217) has the molecular formula C70H78N12O7 and a molecular weight of 1199.47 g/mol. Its IUPAC name is 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID164979217
Molecular FormulaC70H78N12O7
Molecular Weight1199.47 g/mol
Exact Mass1198.61
IUPAC Name1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESC=Cc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1.CC(=O)N1CCc2c(c(-c3cc(C)cc4ccncc34)nn2C2CCOCC2)C1.COc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1
InChIInChI=1S/C24H26N4O2.C23H26N4O3.C23H26N4O2/c1-3-17-12-18-4-8-25-14-21(18)20(13-17)24-22-15-27(16(2)29)9-5-23(22)28(26-24)19-6-10-30-11-7-19;1-15(28)26-8-4-22-21(14-26)23(25-27(22)17-5-9-30-10-6-17)19-12-18(29-2)11-16-3-7-24-13-20(16)19;1-15-11-17-3-7-24-13-20(17)19(12-15)23-21-14-26(16(2)28)8-4-22(21)27(25-23)18-5-9-29-10-6-18/h3-4,8,12-14,19H,1,5-7,9-11,15H2,2H3;3,7,11-13,17H,4-6,8-10,14H2,1-2H3;3,7,11-13,18H,4-6,8-10,14H2,1-2H3
InChIKeyFFQDSKOESTUMFV-UHFFFAOYSA-N
XLogP11.02
TPSA189.98 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001199.47
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-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-(5-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132186773
1-[3-(3-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1,1,1-trifluorobutan-2-one
CID 145409100
(E)-1-[(3R)-3-[3-(3-fluoro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]-3-[3-fluoro-5-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]phenyl]prop-2-en-1-one
CID 146616475
4-Methyl-1-[[3-[1-(oxan-4-yl)piperidin-4-yl]-6-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]isoquinolin-7-yl]methyl]pyrrolidin-2-one
CID 118455044
4-methyl-1-[[3-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-6-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]isoquinolin-7-yl]methyl]pyrrolidin-2-one
CID 118455050
(4S)-4-methyl-1-[[3-[1-(oxan-4-yl)piperidin-4-yl]-6-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]isoquinolin-7-yl]methyl]pyrrolidin-2-one
CID 118464036
2-[(4-methoxypiperidin-1-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone
CID 122613814
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-[3-[4-methyl-2,2-di(propan-2-yl)pentoxy]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132186955

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 164979217) is 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-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-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is C=Cc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1.CC(=O)N1CCc2c(c(-c3cc(C)cc4ccncc34)nn2C2CCOCC2)C1.COc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1.
What is the InChIKey of 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is FFQDSKOESTUMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.C23H26N4O3.C23H26N4O2/c1-3-17-12-18-4-8-25-14-21(18)20(13-17)24-22-15-27(16(2)29)9-5-23(22)28(26-24)19-6-10-30-11-7-19;1-15(28)26-8-4-22-21(14-26)23(25-27(22)17-5-9-30-10-6-17)19-12-18(29-2)11-16-3-7-24-13-20(16)19;1-15-11-17-3-7-24-13-20(17)19(12-15)23-21-14-26(16(2)28)8-4-22(21)27(25-23)18-5-9-29-10-6-18/h3-4,8,12-14,19H,1,5-7,9-11,15H2,2H3;3,7,11-13,17H,4-6,8-10,14H2,1-2H3;3,7,11-13,18H,4-6,8-10,14H2,1-2H3.
What are the key properties of 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1199.47 g/mol, XLogP of 11.02, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-ethenylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 164979217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).