(5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C108H120F4N20O10 — CID 158605323

IUPAC(5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@@H]1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@@H]4C)c(F)ccc2nc1-c1cnn(C)c1.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@H]4C)c(F)ccc2nc1-c1cnn(C)c1
InChIInChI=1S/2C27H29FN6O2.2C27H31FN4O3/c2*1-15-11-19-21(30-24(15)18-12-29-33(4)13-18)6-5-20(28)23(19)25-22-14-32(3)27(35)16(2)34(22)26(31-25)17-7-9-36-10-8-17;2*1-16-27(33)31(2)15-23-25(30-26(32(16)23)18-7-11-35-12-8-18)24-20-14-29-22(17-5-9-34-10-6-17)13-19(20)3-4-21(24)28/h2*5-6,11-13,16-17H,7-10,14H2,1-4H3;2*3-4,13-14,16-18H,5-12,15H2,1-2H3/t4*16-/m1010/s1
InChIKeyHWDNEPGCEZQZAL-CUJIRLJHSA-N
MW1934.27 g/mol
LogP17.86
Rot. Bonds12

About (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

(5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 158605323) has the molecular formula C108H120F4N20O10 and a molecular weight of 1934.27 g/mol. Its IUPAC name is (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name(5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID158605323
Molecular FormulaC108H120F4N20O10
Molecular Weight1934.27 g/mol
Exact Mass1932.94
IUPAC Name(5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@@H]1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@@H]4C)c(F)ccc2nc1-c1cnn(C)c1.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@H]4C)c(F)ccc2nc1-c1cnn(C)c1
InChIInChI=1S/2C27H29FN6O2.2C27H31FN4O3/c2*1-15-11-19-21(30-24(15)18-12-29-33(4)13-18)6-5-20(28)23(19)25-22-14-32(3)27(35)16(2)34(22)26(31-25)17-7-9-36-10-8-17;2*1-16-27(33)31(2)15-23-25(30-26(32(16)23)18-7-11-35-12-8-18)24-20-14-29-22(17-5-9-34-10-6-17)13-19(20)3-4-21(24)28/h2*5-6,11-13,16-17H,7-10,14H2,1-4H3;2*3-4,13-14,16-18H,5-12,15H2,1-2H3/t4*16-/m1010/s1
InChIKeyHWDNEPGCEZQZAL-CUJIRLJHSA-N
XLogP17.86
TPSA295.10 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.27
LogP ≤ 517.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-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 97
CID 139558275
US10899769, Example 27
CID 139558303
US10899769, Example 64a
CID 139558309
US10899769, Example 95
CID 139558315
US10899769, Example 91a
CID 139558391
US10899769, Example 89b
CID 139558396
US10899769, Example 93
CID 139570784
US10899769, Example 98
CID 139570832
US10899769, Example 90a
CID 139570900
US10899769, Example 26a
CID 139570987

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-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 (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 158605323) is (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-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 (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-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 (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is C[C@@H]1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@@H]4C)c(F)ccc2nc1-c1cnn(C)c1.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@H]4C)c(F)ccc2nc1-c1cnn(C)c1.
What is the InChIKey of (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is HWDNEPGCEZQZAL-CUJIRLJHSA-N. The full InChI is InChI=1S/2C27H29FN6O2.2C27H31FN4O3/c2*1-15-11-19-21(30-24(15)18-12-29-33(4)13-18)6-5-20(28)23(19)25-22-14-32(3)27(35)16(2)34(22)26(31-25)17-7-9-36-10-8-17;2*1-16-27(33)31(2)15-23-25(30-26(32(16)23)18-7-11-35-12-8-18)24-20-14-29-22(17-5-9-34-10-6-17)13-19(20)3-4-21(24)28/h2*5-6,11-13,16-17H,7-10,14H2,1-4H3;2*3-4,13-14,16-18H,5-12,15H2,1-2H3/t4*16-/m1010/s1.
What are the key properties of (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-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 1934.27 g/mol, XLogP of 17.86, 12 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-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 158605323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).