6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide

C21H14ClF3N6O2 — CID 90157600

IUPAC6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide
SMILESCN(C(=O)c1cn2c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(Cl)nc1
InChIInChI=1S/C21H14ClF3N6O2/c1-30(14-6-7-17(22)27-8-14)20(33)15-11-31-16(9-28-18(31)10-26-15)19(32)29-13-4-2-12(3-5-13)21(23,24)25/h2-11H,1H3,(H,29,32)
InChIKeyHQPUJSLOUQELFV-UHFFFAOYSA-N
MW474.83 g/mol
LogP4.33
Rot. Bonds4

About 6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide

6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide (PubChem CID 90157600) has the molecular formula C21H14ClF3N6O2 and a molecular weight of 474.83 g/mol. Its IUPAC name is 6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide
PubChem CID90157600
Molecular FormulaC21H14ClF3N6O2
Molecular Weight474.83 g/mol
Exact Mass474.08
IUPAC Name6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide
SMILESCN(C(=O)c1cn2c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(Cl)nc1
InChIInChI=1S/C21H14ClF3N6O2/c1-30(14-6-7-17(22)27-8-14)20(33)15-11-31-16(9-28-18(31)10-26-15)19(32)29-13-4-2-12(3-5-13)21(23,24)25/h2-11H,1H3,(H,29,32)
InChIKeyHQPUJSLOUQELFV-UHFFFAOYSA-N
XLogP4.33
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 74767851
N-(6-chloro-5-methyl-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157070
N-(4-isocyanophenyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 123830337
N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 163572606
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157437
N-(4-methylperoxysulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 123795838
N-(5-bromopyrazin-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 74766869
N-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157696
N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157403
N-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157703
N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157996

Frequently Asked Questions

What is the IUPAC name of 6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide?
The IUPAC name of 6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide (CID 90157600) is 6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide.
What is the SMILES notation for 6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide?
The canonical SMILES for 6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide is CN(C(=O)c1cn2c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(Cl)nc1.
What is the InChIKey of 6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide?
The InChIKey is HQPUJSLOUQELFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N6O2/c1-30(14-6-7-17(22)27-8-14)20(33)15-11-31-16(9-28-18(31)10-26-15)19(32)29-13-4-2-12(3-5-13)21(23,24)25/h2-11H,1H3,(H,29,32).
What are the key properties of 6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide?
6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide has a molecular weight of 474.83 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(6-chloro-3-pyridinyl)-6-N-methyl-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-3,6-dicarboxamide is sourced from PubChem (CID 90157600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).