1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane

C55H60F4N12O5S2 — CID 158658363

IUPAC1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane
SMILESC.CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCS(=O)(=O)CC3)n21.CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCS(=O)CC3)n21
InChIInChI=1S/C27H28F2N6O3S.C27H28F2N6O2S.CH4/c1-15-27(36)33(2)14-22-24(32-26(35(15)22)16-7-9-39(37,38)10-8-16)18-5-4-6-21-19(18)11-20(25(28)29)23(31-21)17-12-30-34(3)13-17;1-15-27(36)33(2)14-22-24(32-26(35(15)22)16-7-9-38(37)10-8-16)18-5-4-6-21-19(18)11-20(25(28)29)23(31-21)17-12-30-34(3)13-17;/h4-6,11-13,15-16,25H,7-10,14H2,1-3H3;4-6,11-13,15-16,25H,7-10,14H2,1-3H3;1H4
InChIKeyICKZRQDIRGJEEY-UHFFFAOYSA-N
MW1109.29 g/mol
LogP9.49
Rot. Bonds8

About 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane

1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane (PubChem CID 158658363) has the molecular formula C55H60F4N12O5S2 and a molecular weight of 1109.29 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane
PubChem CID158658363
Molecular FormulaC55H60F4N12O5S2
Molecular Weight1109.29 g/mol
Exact Mass1108.42
IUPAC Name1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane
SMILESC.CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCS(=O)(=O)CC3)n21.CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCS(=O)CC3)n21
InChIInChI=1S/C27H28F2N6O3S.C27H28F2N6O2S.CH4/c1-15-27(36)33(2)14-22-24(32-26(35(15)22)16-7-9-39(37,38)10-8-16)18-5-4-6-21-19(18)11-20(25(28)29)23(31-21)17-12-30-34(3)13-17;1-15-27(36)33(2)14-22-24(32-26(35(15)22)16-7-9-38(37)10-8-16)18-5-4-6-21-19(18)11-20(25(28)29)23(31-21)17-12-30-34(3)13-17;/h4-6,11-13,15-16,25H,7-10,14H2,1-3H3;4-6,11-13,15-16,25H,7-10,14H2,1-3H3;1H4
InChIKeyICKZRQDIRGJEEY-UHFFFAOYSA-N
XLogP9.49
TPSA188.89 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001109.29
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane with MolForge

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Related Compounds

US10899769, Example 81
CID 139558231
US10899769, Example 79
CID 139558291
US10899769, Example 83
CID 139558321
US10899769, Example 80
CID 139558334
US10899769, Example 20
CID 139558443
US10899769, Example 78
CID 139558458
US10899769, Example 77
CID 139570813
US10899769, Example 29b
CID 147845107
US10899769, Example 29a
CID 139574646
4-Methylsulfonyl-3-[7-[3-[3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinolin-4-yl]sulfonylpropyl]-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline
CID 129100120
1-[3-(Difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dihydroxythian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 139558345
1-[3-(Difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 139558347

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane?
The IUPAC name of 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane (CID 158658363) is 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane.
What is the SMILES notation for 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane?
The canonical SMILES for 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane is C.CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCS(=O)(=O)CC3)n21.CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCS(=O)CC3)n21.
What is the InChIKey of 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane?
The InChIKey is ICKZRQDIRGJEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O3S.C27H28F2N6O2S.CH4/c1-15-27(36)33(2)14-22-24(32-26(35(15)22)16-7-9-39(37,38)10-8-16)18-5-4-6-21-19(18)11-20(25(28)29)23(31-21)17-12-30-34(3)13-17;1-15-27(36)33(2)14-22-24(32-26(35(15)22)16-7-9-38(37)10-8-16)18-5-4-6-21-19(18)11-20(25(28)29)23(31-21)17-12-30-34(3)13-17;/h4-6,11-13,15-16,25H,7-10,14H2,1-3H3;4-6,11-13,15-16,25H,7-10,14H2,1-3H3;1H4.
What are the key properties of 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane?
1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane has a molecular weight of 1109.29 g/mol, XLogP of 9.49, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-oxothian-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane is sourced from PubChem (CID 158658363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).