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

C23H19Cl2F3N4O — CID 134600644

IUPAC8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine
SMILESCCOc1c(C(C)c2ncc3c(Cl)nccn23)cc(Cl)c(C)c1-c1cncc(C(F)(F)F)c1
InChIInChI=1S/C23H19Cl2F3N4O/c1-4-33-20-16(12(2)22-31-11-18-21(25)30-5-6-32(18)22)8-17(24)13(3)19(20)14-7-15(10-29-9-14)23(26,27)28/h5-12H,4H2,1-3H3
InChIKeyYNWTVAHXQSYFQT-UHFFFAOYSA-N
MW495.33 g/mol
LogP6.98
Rot. Bonds5

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

8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine (PubChem CID 134600644) has the molecular formula C23H19Cl2F3N4O and a molecular weight of 495.33 g/mol. Its IUPAC name is 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine
PubChem CID134600644
Molecular FormulaC23H19Cl2F3N4O
Molecular Weight495.33 g/mol
Exact Mass494.09
IUPAC Name8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine
SMILESCCOc1c(C(C)c2ncc3c(Cl)nccn23)cc(Cl)c(C)c1-c1cncc(C(F)(F)F)c1
InChIInChI=1S/C23H19Cl2F3N4O/c1-4-33-20-16(12(2)22-31-11-18-21(25)30-5-6-32(18)22)8-17(24)13(3)19(20)14-7-15(10-29-9-14)23(26,27)28/h5-12H,4H2,1-3H3
InChIKeyYNWTVAHXQSYFQT-UHFFFAOYSA-N
XLogP6.98
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.33
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine 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 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine?
The IUPAC name of 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine (CID 134600644) is 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine.
What is the SMILES notation for 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine?
The canonical SMILES for 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine is CCOc1c(C(C)c2ncc3c(Cl)nccn23)cc(Cl)c(C)c1-c1cncc(C(F)(F)F)c1.
What is the InChIKey of 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine?
The InChIKey is YNWTVAHXQSYFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F3N4O/c1-4-33-20-16(12(2)22-31-11-18-21(25)30-5-6-32(18)22)8-17(24)13(3)19(20)14-7-15(10-29-9-14)23(26,27)28/h5-12H,4H2,1-3H3.
What are the key properties of 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine?
8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine has a molecular weight of 495.33 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine is sourced from PubChem (CID 134600644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).