1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine

C22H17Cl2F4N5O — CID 134600589

IUPAC1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(F)c(Cl)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H17Cl2F4N5O/c1-3-34-18-12(10(2)21-32-19(24)17-20(29)30-6-7-33(17)21)8-13(25)16(23)15(18)11-4-5-14(31-9-11)22(26,27)28/h4-10H,3H2,1-2H3,(H2,29,30)
InChIKeyMBQVKLUQMPFVGY-UHFFFAOYSA-N
MW514.31 g/mol
LogP6.39
Rot. Bonds5

About 1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine

1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 134600589) has the molecular formula C22H17Cl2F4N5O and a molecular weight of 514.31 g/mol. Its IUPAC name is 1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID134600589
Molecular FormulaC22H17Cl2F4N5O
Molecular Weight514.31 g/mol
Exact Mass513.07
IUPAC Name1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(F)c(Cl)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H17Cl2F4N5O/c1-3-34-18-12(10(2)21-32-19(24)17-20(29)30-6-7-33(17)21)8-13(25)16(23)15(18)11-4-5-14(31-9-11)22(26,27)28/h4-10H,3H2,1-2H3,(H2,29,30)
InChIKeyMBQVKLUQMPFVGY-UHFFFAOYSA-N
XLogP6.39
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.31
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]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

Related Compounds

7-[2-Chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine
CID 10222981
(5-(2,4-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11611325
(5-(4-Chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11653749
(2-(2-Methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11655271
(5-(4-Chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11696912
(5-(2,6-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11711314
1-(3-(2-Chlorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438864
1-(3-(4-Chlorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438867
1-(3-(2-Chloro-6-fluorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438898
1-[(R)-1-Methylbutyl]-2-ethyl-4-[2-chloro-4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine
CID 10070229
4-[2-Chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-pentan-2-ylimidazo[4,5-c]pyridine
CID 10179863
7-[2-Chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine
CID 10275248

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (CID 134600589) is 1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is CCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(F)c(Cl)c1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is MBQVKLUQMPFVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F4N5O/c1-3-34-18-12(10(2)21-32-19(24)17-20(29)30-6-7-33(17)21)8-13(25)16(23)15(18)11-4-5-14(31-9-11)22(26,27)28/h4-10H,3H2,1-2H3,(H2,29,30).
What are the key properties of 1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 514.31 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[1-[4-chloro-2-ethoxy-5-fluoro-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 134600589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).