azane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate

C29H20Br2F6N8O3 — CID 158360752

IUPACazane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1cn2c(C(F)(F)F)cnc2c(-c2cccc(Br)c2)n1.N.NC(=O)c1cn2c(C(F)(F)F)cnc2c(-c2cccc(Br)c2)n1
InChIInChI=1S/C15H9BrF3N3O2.C14H8BrF3N4O.H3N/c1-24-14(23)10-7-22-11(15(17,18)19)6-20-13(22)12(21-10)8-3-2-4-9(16)5-8;15-8-3-1-2-7(4-8)11-13-20-5-10(14(16,17)18)22(13)6-9(21-11)12(19)23;/h2-7H,1H3;1-6H,(H2,19,23);1H3
InChIKeyPGHORUBPWDYSOQ-UHFFFAOYSA-N
MW802.33 g/mol
LogP7.40
Rot. Bonds4

About azane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate

azane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate (PubChem CID 158360752) has the molecular formula C29H20Br2F6N8O3 and a molecular weight of 802.33 g/mol. Its IUPAC name is azane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Nameazane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate
PubChem CID158360752
Molecular FormulaC29H20Br2F6N8O3
Molecular Weight802.33 g/mol
Exact Mass799.99
IUPAC Nameazane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1cn2c(C(F)(F)F)cnc2c(-c2cccc(Br)c2)n1.N.NC(=O)c1cn2c(C(F)(F)F)cnc2c(-c2cccc(Br)c2)n1
InChIInChI=1S/C15H9BrF3N3O2.C14H8BrF3N4O.H3N/c1-24-14(23)10-7-22-11(15(17,18)19)6-20-13(22)12(21-10)8-3-2-4-9(16)5-8;15-8-3-1-2-7(4-8)11-13-20-5-10(14(16,17)18)22(13)6-9(21-11)12(19)23;/h2-7H,1H3;1-6H,(H2,19,23);1H3
InChIKeyPGHORUBPWDYSOQ-UHFFFAOYSA-N
XLogP7.40
TPSA164.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.33
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze azane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate 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

Ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 11189011
7-[2-(6-Fluoro-pyridin-2-yl)-imidazol-1-ylmethyl]-8-propyl-imidazo[1,2-c]pyrimidine-2-carboxylic acid ethyl ester
CID 11361822
US9884868, Example 274C''
CID 122510556
Ethyl 3-{[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]amino} imidazo[1,2-a]pyridine-2-carboxylate
CID 117967532
US11673894, Ex. No. 11
CID 139508836
Methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate
CID 117902114
Ethyl 6-(6'-(trifluoromethyl)-[2,2'-bipyridin]-3-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 122478431
Ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 135233380
Ethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)pyridin-4-yl]imidazo[1,2-a]pyrazine-2-carboxylate
CID 137372642
methyl 6-[4-amino-5-(4-fluorophenyl)-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-2-carboxylate
CID 140781979
Methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate
CID 146386552
Methyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate
CID 146596392

Frequently Asked Questions

What is the IUPAC name of azane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate?
The IUPAC name of azane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate (CID 158360752) is azane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate.
What is the SMILES notation for azane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate?
The canonical SMILES for azane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate is COC(=O)c1cn2c(C(F)(F)F)cnc2c(-c2cccc(Br)c2)n1.N.NC(=O)c1cn2c(C(F)(F)F)cnc2c(-c2cccc(Br)c2)n1.
What is the InChIKey of azane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate?
The InChIKey is PGHORUBPWDYSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3N3O2.C14H8BrF3N4O.H3N/c1-24-14(23)10-7-22-11(15(17,18)19)6-20-13(22)12(21-10)8-3-2-4-9(16)5-8;15-8-3-1-2-7(4-8)11-13-20-5-10(14(16,17)18)22(13)6-9(21-11)12(19)23;/h2-7H,1H3;1-6H,(H2,19,23);1H3.
What are the key properties of azane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate?
azane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate has a molecular weight of 802.33 g/mol, XLogP of 7.40, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-(3-bromophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 158360752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).