(5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane

C107H118F8N22O6 — CID 157106137

IUPAC(5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane
SMILESC.C[C@@H]1C(=O)N(C)Cc2c(-c3ccnc4cc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n21.C[C@@H]1C(=O)N(C)Cc2c(N3CCCc4cc(-c5ccn(C)c5)c(C(F)F)cc43)nc(C3CC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3ccnc4cc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n21.C[C@H]1C(=O)N(C)Cc2c(N3CCCc4cc(-c5ccn(C)c5)c(C(F)F)cc43)nc(C3CC3)n21
InChIInChI=1S/2C27H28F2N6O2.2C26H29F2N5O.CH4/c2*1-15-27(36)33(2)14-23-24(32-26(35(15)23)16-5-8-37-9-6-16)18-4-7-30-22-11-19(17-12-31-34(3)13-17)21(25(28)29)10-20(18)22;2*1-15-26(34)31(3)14-22-25(29-24(33(15)22)16-6-7-16)32-9-4-5-17-11-19(18-8-10-30(2)13-18)20(23(27)28)12-21(17)32;/h2*4,7,10-13,15-16,25H,5-6,8-9,14H2,1-3H3;2*8,10-13,15-16,23H,4-7,9,14H2,1-3H3;1H4/t4*15-;/m1010./s1
InChIKeyAGHZRVBZLUSREK-IAORUHOXSA-N
MW1960.25 g/mol
LogP21.00
Rot. Bonds16

About (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane

(5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane (PubChem CID 157106137) has the molecular formula C107H118F8N22O6 and a molecular weight of 1960.25 g/mol. Its IUPAC name is (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane.

Molecular Properties

Compound Name(5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane
PubChem CID157106137
Molecular FormulaC107H118F8N22O6
Molecular Weight1960.25 g/mol
Exact Mass1958.95
IUPAC Name(5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane
SMILESC.C[C@@H]1C(=O)N(C)Cc2c(-c3ccnc4cc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n21.C[C@@H]1C(=O)N(C)Cc2c(N3CCCc4cc(-c5ccn(C)c5)c(C(F)F)cc43)nc(C3CC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3ccnc4cc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n21.C[C@H]1C(=O)N(C)Cc2c(N3CCCc4cc(-c5ccn(C)c5)c(C(F)F)cc43)nc(C3CC3)n21
InChIInChI=1S/2C27H28F2N6O2.2C26H29F2N5O.CH4/c2*1-15-27(36)33(2)14-23-24(32-26(35(15)23)16-5-8-37-9-6-16)18-4-7-30-22-11-19(17-12-31-34(3)13-17)21(25(28)29)10-20(18)22;2*1-15-26(34)31(3)14-22-25(29-24(33(15)22)16-6-7-16)32-9-4-5-17-11-19(18-8-10-30(2)13-18)20(23(27)28)12-21(17)32;/h2*4,7,10-13,15-16,25H,5-6,8-9,14H2,1-3H3;2*8,10-13,15-16,23H,4-7,9,14H2,1-3H3;1H4/t4*15-;/m1010./s1
InChIKeyAGHZRVBZLUSREK-IAORUHOXSA-N
XLogP21.00
TPSA248.74 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001960.25
LogP ≤ 521.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane with MolForge

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Related Compounds

US10899769, Example 89a
CID 139558251
US10899769, Example 27
CID 139558303
US10899769, Example 64a
CID 139558309
US10899769, Example 95
CID 139558315
US10899769, Example 89b
CID 139558396
US10899769, Example 93
CID 139570784
US10899769, Example 26a
CID 139570987
US10899769, Example 26b
CID 139570996
US10899769, Example 36a
CID 139571042
US10899769, Example 36b
CID 139571045
US10899769, Example 5a
CID 139571104
US10899769, Example 35
CID 139558250

Frequently Asked Questions

What is the IUPAC name of (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane?
The IUPAC name of (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane (CID 157106137) is (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane.
What is the SMILES notation for (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane?
The canonical SMILES for (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane is C.C[C@@H]1C(=O)N(C)Cc2c(-c3ccnc4cc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n21.C[C@@H]1C(=O)N(C)Cc2c(N3CCCc4cc(-c5ccn(C)c5)c(C(F)F)cc43)nc(C3CC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3ccnc4cc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n21.C[C@H]1C(=O)N(C)Cc2c(N3CCCc4cc(-c5ccn(C)c5)c(C(F)F)cc43)nc(C3CC3)n21.
What is the InChIKey of (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane?
The InChIKey is AGHZRVBZLUSREK-IAORUHOXSA-N. The full InChI is InChI=1S/2C27H28F2N6O2.2C26H29F2N5O.CH4/c2*1-15-27(36)33(2)14-23-24(32-26(35(15)23)16-5-8-37-9-6-16)18-4-7-30-22-11-19(17-12-31-34(3)13-17)21(25(28)29)10-20(18)22;2*1-15-26(34)31(3)14-22-25(29-24(33(15)22)16-6-7-16)32-9-4-5-17-11-19(18-8-10-30(2)13-18)20(23(27)28)12-21(17)32;/h2*4,7,10-13,15-16,25H,5-6,8-9,14H2,1-3H3;2*8,10-13,15-16,23H,4-7,9,14H2,1-3H3;1H4/t4*15-;/m1010./s1.
What are the key properties of (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane?
(5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane has a molecular weight of 1960.25 g/mol, XLogP of 21.00, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;methane is sourced from PubChem (CID 157106137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).