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

C24H22BrClF3N5O — CID 134600625

IUPAC1-bromo-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1c(Cl)cc(C(C)c2nc(Br)c3c(N)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H22BrClF3N5O/c1-11(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/h5-12H,1-4H3,(H2,30,31)
InChIKeyXONJYWYRWFVENL-UHFFFAOYSA-N
MW568.83 g/mol
LogP7.06
Rot. Bonds5

About 1-bromo-3-[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-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 134600625) has the molecular formula C24H22BrClF3N5O and a molecular weight of 568.83 g/mol. Its IUPAC name is 1-bromo-3-[1-[5-chloro-4-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-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID134600625
Molecular FormulaC24H22BrClF3N5O
Molecular Weight568.83 g/mol
Exact Mass567.06
IUPAC Name1-bromo-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1c(Cl)cc(C(C)c2nc(Br)c3c(N)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H22BrClF3N5O/c1-11(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/h5-12H,1-4H3,(H2,30,31)
InChIKeyXONJYWYRWFVENL-UHFFFAOYSA-N
XLogP7.06
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.83
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-bromo-3-[1-[5-chloro-4-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-[1-[5-chloro-4-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-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (CID 134600625) is 1-bromo-3-[1-[5-chloro-4-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-[1-[5-chloro-4-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-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is Cc1c(Cl)cc(C(C)c2nc(Br)c3c(N)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-bromo-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is XONJYWYRWFVENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrClF3N5O/c1-11(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/h5-12H,1-4H3,(H2,30,31).
What are the key properties of 1-bromo-3-[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-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 568.83 g/mol, XLogP of 7.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 134600625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).