1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine

C24H20BrCl2F3N4O — CID 134600898

IUPAC1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine
SMILESCc1c(Cl)cc(C(C)c2nc(Br)c3c(Cl)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H20BrCl2F3N4O/c1-11(2)35-20-15(12(3)23-33-21(25)19-22(27)31-7-8-34(19)23)9-16(26)13(4)18(20)14-5-6-17(32-10-14)24(28,29)30/h5-12H,1-4H3
InChIKeyNAERNHLTAQURHG-UHFFFAOYSA-N
MW588.26 g/mol
LogP8.13
Rot. Bonds5

About 1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine

1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine (PubChem CID 134600898) has the molecular formula C24H20BrCl2F3N4O and a molecular weight of 588.26 g/mol. Its IUPAC name is 1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine
PubChem CID134600898
Molecular FormulaC24H20BrCl2F3N4O
Molecular Weight588.26 g/mol
Exact Mass586.01
IUPAC Name1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine
SMILESCc1c(Cl)cc(C(C)c2nc(Br)c3c(Cl)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H20BrCl2F3N4O/c1-11(2)35-20-15(12(3)23-33-21(25)19-22(27)31-7-8-34(19)23)9-16(26)13(4)18(20)14-5-6-17(32-10-14)24(28,29)30/h5-12H,1-4H3
InChIKeyNAERNHLTAQURHG-UHFFFAOYSA-N
XLogP8.13
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.26
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine?
The IUPAC name of 1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine (CID 134600898) is 1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine?
The canonical SMILES for 1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine is Cc1c(Cl)cc(C(C)c2nc(Br)c3c(Cl)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine?
The InChIKey is NAERNHLTAQURHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrCl2F3N4O/c1-11(2)35-20-15(12(3)23-33-21(25)19-22(27)31-7-8-34(19)23)9-16(26)13(4)18(20)14-5-6-17(32-10-14)24(28,29)30/h5-12H,1-4H3.
What are the key properties of 1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine?
1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine has a molecular weight of 588.26 g/mol, XLogP of 8.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine is sourced from PubChem (CID 134600898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).