1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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

C108H119F2N25O8 — CID 158799365

IUPAC1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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.CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCN(CCO)CC3)n21.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4C)c2cn1
InChIInChI=1S/C29H33F2N7O2.C27H30N6O2.2C26H28N6O2/c1-17-29(40)35(2)16-24-26(34-28(38(17)24)18-7-9-37(10-8-18)11-12-39)20-5-4-6-23-21(20)13-22(27(30)31)25(33-23)19-14-32-36(3)15-19;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/h4-6,13-15,17-18,27,39H,7-12,16H2,1-3H3;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
InChIKeyITHAIKYCFLVBOZ-UHFFFAOYSA-N
MW1933.30 g/mol
LogP16.23
Rot. Bonds15

About 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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

1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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 158799365) has the molecular formula C108H119F2N25O8 and a molecular weight of 1933.30 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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 Name1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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 CID158799365
Molecular FormulaC108H119F2N25O8
Molecular Weight1933.30 g/mol
Exact Mass1931.96
IUPAC Name1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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.CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCN(CCO)CC3)n21.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4C)c2cn1
InChIInChI=1S/C29H33F2N7O2.C27H30N6O2.2C26H28N6O2/c1-17-29(40)35(2)16-24-26(34-28(38(17)24)18-7-9-37(10-8-18)11-12-39)20-5-4-6-23-21(20)13-22(27(30)31)25(33-23)19-14-32-36(3)15-19;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/h4-6,13-15,17-18,27,39H,7-12,16H2,1-3H3;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
InChIKeyITHAIKYCFLVBOZ-UHFFFAOYSA-N
XLogP16.23
TPSA326.52 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds15
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001933.30
LogP ≤ 516.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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
US11058688, Example 123
CID 139543520
US10899769, Example 28
CID 139558220
US10899769, Example 84
CID 139558225
US10899769, Example 81
CID 139558231
US10899769, Example 27
CID 139558303
US10899769, Example 64a
CID 139558309
US10899769, Example 95
CID 139558315
US10899769, Example 80
CID 139558334
US10899769, Example 89b
CID 139558396
US10899769, Example 93
CID 139570784
US10899769, Example 26a
CID 139570987

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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 158799365) is 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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.CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCN(CCO)CC3)n21.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4C)c2cn1.
What is the InChIKey of 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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 ITHAIKYCFLVBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N7O2.C27H30N6O2.2C26H28N6O2/c1-17-29(40)35(2)16-24-26(34-28(38(17)24)18-7-9-37(10-8-18)11-12-39)20-5-4-6-23-21(20)13-22(27(30)31)25(33-23)19-14-32-36(3)15-19;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/h4-6,13-15,17-18,27,39H,7-12,16H2,1-3H3;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 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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?
1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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 1933.30 g/mol, XLogP of 16.23, 15 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]-5,7-dimethyl-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);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 158799365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).