bis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one)

C106H116N24O8 — CID 159481142

IUPACbis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one)
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21.CC1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4C)c2cn1.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4C)c2cn1
InChIInChI=1S/2C27H30N6O2.2C26H28N6O2/c2*1-16-22(14-32(4)30-16)23-12-19-6-5-7-20(21(19)13-28-23)25-24-15-31(3)27(34)17(2)33(24)26(29-25)18-8-10-35-11-9-18;2*1-16-26(33)30(2)15-23-24(28-25(32(16)23)17-8-11-34-12-9-17)19-6-4-5-18-13-22(27-14-20(18)19)21-7-10-31(3)29-21/h2*5-7,12-14,17-18H,8-11,15H2,1-4H3;2*4-7,10,13-14,16-17H,8-9,11-12,15H2,1-3H3
InChIKeyLXACCIOWUKMEHN-UHFFFAOYSA-N
MW1854.25 g/mol
LogP16.32
Rot. Bonds12

About bis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one)

bis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one) (PubChem CID 159481142) has the molecular formula C106H116N24O8 and a molecular weight of 1854.25 g/mol. Its IUPAC name is bis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one).

Molecular Properties

Compound Namebis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one)
PubChem CID159481142
Molecular FormulaC106H116N24O8
Molecular Weight1854.25 g/mol
Exact Mass1852.94
IUPAC Namebis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one)
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21.CC1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4C)c2cn1.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4C)c2cn1
InChIInChI=1S/2C27H30N6O2.2C26H28N6O2/c2*1-16-22(14-32(4)30-16)23-12-19-6-5-7-20(21(19)13-28-23)25-24-15-31(3)27(34)17(2)33(24)26(29-25)18-8-10-35-11-9-18;2*1-16-26(33)30(2)15-23-24(28-25(32(16)23)17-8-11-34-12-9-17)19-6-4-5-18-13-22(27-14-20(18)19)21-7-10-31(3)29-21/h2*5-7,12-14,17-18H,8-11,15H2,1-4H3;2*4-7,10,13-14,16-17H,8-9,11-12,15H2,1-3H3
InChIKeyLXACCIOWUKMEHN-UHFFFAOYSA-N
XLogP16.32
TPSA312.28 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.25
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze bis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one) with MolForge

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Related Compounds

US10899769, Example 89a
CID 139558251
US10899769, Example 97
CID 139558275
US10899769, Example 91a
CID 139558391
US10899769, Example 89b
CID 139558396
US10899769, Example 98
CID 139570832
US10899769, Example 90a
CID 139570900
US10899769, Example 26a
CID 139570987
US10899769, Example 26b
CID 139570996
US10899769, Example 5a
CID 139571104
US10899769, Example 87
CID 139558308
US10899769, Example 85
CID 139558324
US10899769, Example 5b
CID 139558319

Frequently Asked Questions

What is the IUPAC name of bis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one)?
The IUPAC name of bis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one) (CID 159481142) is bis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one).
What is the SMILES notation for bis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one)?
The canonical SMILES for bis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one) is CC1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21.CC1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4C)c2cn1.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4C)c2cn1.
What is the InChIKey of bis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one)?
The InChIKey is LXACCIOWUKMEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H30N6O2.2C26H28N6O2/c2*1-16-22(14-32(4)30-16)23-12-19-6-5-7-20(21(19)13-28-23)25-24-15-31(3)27(34)17(2)33(24)26(29-25)18-8-10-35-11-9-18;2*1-16-26(33)30(2)15-23-24(28-25(32(16)23)17-8-11-34-12-9-17)19-6-4-5-18-13-22(27-14-20(18)19)21-7-10-31(3)29-21/h2*5-7,12-14,17-18H,8-11,15H2,1-4H3;2*4-7,10,13-14,16-17H,8-9,11-12,15H2,1-3H3.
What are the key properties of bis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one)?
bis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one) has a molecular weight of 1854.25 g/mol, XLogP of 16.32, 12 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);bis(1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one) is sourced from PubChem (CID 159481142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).