1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine

C94H84Cl4F16N20O4 — CID 161348515

IUPAC1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCCCOc1c([C@@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1.CCCOc1c([C@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1.CCOc1c([C@@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1.CCOc1c([C@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/2C24H22ClF4N5O.2C23H20ClF4N5O/c2*1-4-9-35-20-15(13(3)23-33-21(25)19-22(30)31-7-8-34(19)23)10-12(2)18(26)17(20)14-5-6-16(32-11-14)24(27,28)29;2*1-4-34-19-14(12(3)22-32-20(24)18-21(29)30-7-8-33(18)22)9-11(2)17(25)16(19)13-5-6-15(31-10-13)23(26,27)28/h2*5-8,10-11,13H,4,9H2,1-3H3,(H2,30,31);2*5-10,12H,4H2,1-3H3,(H2,29,30)/t2*13-;2*12-/m1010/s1
InChIKeyVNPVWEAGZTYYCC-TUBPYSEJSA-N
MW2003.62 g/mol
LogP24.96
Rot. Bonds22

About 1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine

1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 161348515) has the molecular formula C94H84Cl4F16N20O4 and a molecular weight of 2003.62 g/mol. Its IUPAC name is 1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID161348515
Molecular FormulaC94H84Cl4F16N20O4
Molecular Weight2003.62 g/mol
Exact Mass2000.55
IUPAC Name1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCCCOc1c([C@@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1.CCCOc1c([C@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1.CCOc1c([C@@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1.CCOc1c([C@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/2C24H22ClF4N5O.2C23H20ClF4N5O/c2*1-4-9-35-20-15(13(3)23-33-21(25)19-22(30)31-7-8-34(19)23)10-12(2)18(26)17(20)14-5-6-16(32-11-14)24(27,28)29;2*1-4-34-19-14(12(3)22-32-20(24)18-21(29)30-7-8-33(18)22)9-11(2)17(25)16(19)13-5-6-15(31-10-13)23(26,27)28/h2*5-8,10-11,13H,4,9H2,1-3H3,(H2,30,31);2*5-10,12H,4H2,1-3H3,(H2,29,30)/t2*13-;2*12-/m1010/s1
InChIKeyVNPVWEAGZTYYCC-TUBPYSEJSA-N
XLogP24.96
TPSA313.32 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002003.62
LogP ≤ 524.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

1-Chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600589
1-Chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600612
1-Chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600633
1-Chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600645
1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600647
1-Chloro-3-[1-[5-chloro-4-fluoro-2-propoxy-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600659
1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propoxy-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600660
1-chloro-3-[(1S)-1-[5-chloro-4-fluoro-2-propoxy-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600661
1-Chloro-3-[1-[4-chloro-5-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600921
1-chloro-3-[(1S)-1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600937
1-chloro-3-[(1R)-1-[5-chloro-2-ethoxy-4-fluoro-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600938
1-Chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 142369534

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (CID 161348515) is 1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is CCCOc1c([C@@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1.CCCOc1c([C@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1.CCOc1c([C@@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1.CCOc1c([C@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is VNPVWEAGZTYYCC-TUBPYSEJSA-N. The full InChI is InChI=1S/2C24H22ClF4N5O.2C23H20ClF4N5O/c2*1-4-9-35-20-15(13(3)23-33-21(25)19-22(30)31-7-8-34(19)23)10-12(2)18(26)17(20)14-5-6-16(32-11-14)24(27,28)29;2*1-4-34-19-14(12(3)22-32-20(24)18-21(29)30-7-8-33(18)22)9-11(2)17(25)16(19)13-5-6-15(31-10-13)23(26,27)28/h2*5-8,10-11,13H,4,9H2,1-3H3,(H2,30,31);2*5-10,12H,4H2,1-3H3,(H2,29,30)/t2*13-;2*12-/m1010/s1.
What are the key properties of 1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 2003.62 g/mol, XLogP of 24.96, 22 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(1S)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[2-ethoxy-4-fluoro-5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 161348515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).