1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine

C22H21BrClN5O2 — CID 134600677

IUPAC1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCOc1ccc(-c2c(C)c(Cl)cc(C(C)c3nc(Br)c4c(N)nccn34)c2OC)cn1
InChIInChI=1S/C22H21BrClN5O2/c1-11(22-28-20(23)18-21(25)26-7-8-29(18)22)14-9-15(24)12(2)17(19(14)31-4)13-5-6-16(30-3)27-10-13/h5-11H,1-4H3,(H2,25,26)
InChIKeyVNLWNPATLWEFIH-UHFFFAOYSA-N
MW502.80 g/mol
LogP5.27
Rot. Bonds5

About 1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine

1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 134600677) has the molecular formula C22H21BrClN5O2 and a molecular weight of 502.80 g/mol. Its IUPAC name is 1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID134600677
Molecular FormulaC22H21BrClN5O2
Molecular Weight502.80 g/mol
Exact Mass501.06
IUPAC Name1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCOc1ccc(-c2c(C)c(Cl)cc(C(C)c3nc(Br)c4c(N)nccn34)c2OC)cn1
InChIInChI=1S/C22H21BrClN5O2/c1-11(22-28-20(23)18-21(25)26-7-8-29(18)22)14-9-15(24)12(2)17(19(14)31-4)13-5-6-16(30-3)27-10-13/h5-11H,1-4H3,(H2,25,26)
InChIKeyVNLWNPATLWEFIH-UHFFFAOYSA-N
XLogP5.27
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.80
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (CID 134600677) is 1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is COc1ccc(-c2c(C)c(Cl)cc(C(C)c3nc(Br)c4c(N)nccn34)c2OC)cn1.
What is the InChIKey of 1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is VNLWNPATLWEFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrClN5O2/c1-11(22-28-20(23)18-21(25)26-7-8-29(18)22)14-9-15(24)12(2)17(19(14)31-4)13-5-6-16(30-3)27-10-13/h5-11H,1-4H3,(H2,25,26).
What are the key properties of 1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 502.80 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 134600677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).