1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane

C51H62BrF4N11O2 — CID 159047563

About 1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane

1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane (PubChem CID 159047563) has the molecular formula C51H62BrF4N11O2 and a molecular weight of 1017.03 g/mol. Its IUPAC name is 1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane.

Molecular Properties

• Compound Name: 1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane
• PubChem CID: 159047563
• Molecular Formula: C51H62BrF4N11O2
• Molecular Weight: 1017.03 g/mol
• Exact Mass: 1015.42
• IUPAC Name: 1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane
• SMILES: C.C.CN1Cc2c(Br)nc(C3CC3)n2CC1=O.CN1Cc2c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc(C3CC3)n2CC1=O.Cn1cc(-c2cc3c(cc2C(F)F)CCCC3)cn1
• InChI: InChI=1S/C24H26F2N6O.C15H16F2N2.C10H12BrN3O.2CH4/c1-29-12-20-24(28-23(14-5-6-14)32(20)13-21(29)33)31-7-3-4-15-8-17(16-10-27-30(2)11-16)18(22(25)26)9-19(15)31;1-19-9-12(8-18-19)13-6-10-4-2-3-5-11(10)7-14(13)15(16)17;1-13-4-7-9(11)12-10(6-2-3-6)14(7)5-8(13)15;;/h8-11,14,22H,3-7,12-13H2,1-2H3;6-9,15H,2-5H2,1H3;6H,2-5H2,1H3;2*1H4
• InChIKey: JWVPLZZNUZBEJN-UHFFFAOYSA-N
• XLogP: 10.83
• TPSA: 115.14 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.03
LogP ≤ 5	10.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane?

The IUPAC name of 1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane (CID 159047563) is 1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane.

What is the SMILES notation for 1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane?

The canonical SMILES for 1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane is C.C.CN1Cc2c(Br)nc(C3CC3)n2CC1=O.CN1Cc2c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc(C3CC3)n2CC1=O.Cn1cc(-c2cc3c(cc2C(F)F)CCCC3)cn1.

What is the InChIKey of 1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane?

The InChIKey is JWVPLZZNUZBEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O.C15H16F2N2.C10H12BrN3O.2CH4/c1-29-12-20-24(28-23(14-5-6-14)32(20)13-21(29)33)31-7-3-4-15-8-17(16-10-27-30(2)11-16)18(22(25)26)9-19(15)31;1-19-9-12(8-18-19)13-6-10-4-2-3-5-11(10)7-14(13)15(16)17;1-13-4-7-9(11)12-10(6-2-3-6)14(7)5-8(13)15;;/h8-11,14,22H,3-7,12-13H2,1-2H3;6-9,15H,2-5H2,1H3;6H,2-5H2,1H3;2*1H4.

What are the key properties of 1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane?

1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane has a molecular weight of 1017.03 g/mol, XLogP of 10.83, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-cyclopropyl-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;4-[3-(difluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylpyrazole;methane is sourced from PubChem (CID 159047563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).