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

C96H88Br2Cl4F14N20O4 — CID 157228094

IUPAC1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1c(Cl)cc([C@@H](C)c2nc(Br)c3c(N)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1.Cc1c(Cl)cc([C@H](C)c2nc(Br)c3c(N)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1.Cc1cc([C@@H](C)c2nc(Cl)c3c(N)nccn23)c(OC(C)C)c(-c2ccc(C(F)(F)F)nc2)c1F.Cc1cc([C@H](C)c2nc(Cl)c3c(N)nccn23)c(OC(C)C)c(-c2ccc(C(F)(F)F)nc2)c1F
InChIInChI=1S/2C24H22BrClF3N5O.2C24H22ClF4N5O/c2*1-11(2)35-20-15(12(3)23-33-21(25)19-22(30)31-7-8-34(19)23)9-16(26)13(4)18(20)14-5-6-17(32-10-14)24(27,28)29;2*1-11(2)35-20-15(13(4)23-33-21(25)19-22(30)31-7-8-34(19)23)9-12(3)18(26)17(20)14-5-6-16(32-10-14)24(27,28)29/h2*5-12H,1-4H3,(H2,30,31);2*5-11,13H,1-4H3,(H2,30,31)/t2*12-;2*13-/m1010/s1
InChIKeyATTZMMNLNLMIBM-ZECNJSNDSA-N
MW2153.49 g/mol
LogP26.98
Rot. Bonds20

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

1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 157228094) has the molecular formula C96H88Br2Cl4F14N20O4 and a molecular weight of 2153.49 g/mol. Its IUPAC name is 1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID157228094
Molecular FormulaC96H88Br2Cl4F14N20O4
Molecular Weight2153.49 g/mol
Exact Mass2148.42
IUPAC Name1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1c(Cl)cc([C@@H](C)c2nc(Br)c3c(N)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1.Cc1c(Cl)cc([C@H](C)c2nc(Br)c3c(N)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1.Cc1cc([C@@H](C)c2nc(Cl)c3c(N)nccn23)c(OC(C)C)c(-c2ccc(C(F)(F)F)nc2)c1F.Cc1cc([C@H](C)c2nc(Cl)c3c(N)nccn23)c(OC(C)C)c(-c2ccc(C(F)(F)F)nc2)c1F
InChIInChI=1S/2C24H22BrClF3N5O.2C24H22ClF4N5O/c2*1-11(2)35-20-15(12(3)23-33-21(25)19-22(30)31-7-8-34(19)23)9-16(26)13(4)18(20)14-5-6-17(32-10-14)24(27,28)29;2*1-11(2)35-20-15(13(4)23-33-21(25)19-22(30)31-7-8-34(19)23)9-12(3)18(26)17(20)14-5-6-16(32-10-14)24(27,28)29/h2*5-12H,1-4H3,(H2,30,31);2*5-11,13H,1-4H3,(H2,30,31)/t2*12-;2*13-/m1010/s1
InChIKeyATTZMMNLNLMIBM-ZECNJSNDSA-N
XLogP26.98
TPSA313.32 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms140
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002153.49
LogP ≤ 526.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (CID 157228094) is 1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is Cc1c(Cl)cc([C@@H](C)c2nc(Br)c3c(N)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1.Cc1c(Cl)cc([C@H](C)c2nc(Br)c3c(N)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1.Cc1cc([C@@H](C)c2nc(Cl)c3c(N)nccn23)c(OC(C)C)c(-c2ccc(C(F)(F)F)nc2)c1F.Cc1cc([C@H](C)c2nc(Cl)c3c(N)nccn23)c(OC(C)C)c(-c2ccc(C(F)(F)F)nc2)c1F.
What is the InChIKey of 1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is ATTZMMNLNLMIBM-ZECNJSNDSA-N. The full InChI is InChI=1S/2C24H22BrClF3N5O.2C24H22ClF4N5O/c2*1-11(2)35-20-15(12(3)23-33-21(25)19-22(30)31-7-8-34(19)23)9-16(26)13(4)18(20)14-5-6-17(32-10-14)24(27,28)29;2*1-11(2)35-20-15(13(4)23-33-21(25)19-22(30)31-7-8-34(19)23)9-12(3)18(26)17(20)14-5-6-16(32-10-14)24(27,28)29/h2*5-12H,1-4H3,(H2,30,31);2*5-11,13H,1-4H3,(H2,30,31)/t2*12-;2*13-/m1010/s1.
What are the key properties of 1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 2153.49 g/mol, XLogP of 26.98, 20 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 157228094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).